ALA2289575Name:
2-(1-(2-(4-bromophenyl)hydrazono)ethyl)-N,N-dimethyl-1,3-dithian-5-amineMol. Formula:
C14H20BrN3S2M.W.:
374.37Type:
Small moleculeAlogP:
3.97Polar Surface Area:
27.63HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
Small moleculeAlogP:
1.25Polar Surface Area:
27.03HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.62DETAILS
ALA2289573Name:
(5-(dimethylamino)-1,3-dithian-2-yl)(phenyl)methanoneMol. Formula:
C13H17NOS2M.W.:
267.42Type:
Small moleculeAlogP:
2.61Polar Surface Area:
20.31HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
Small moleculeAlogP:
1.31Polar Surface Area:
20.31HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA2289571Name:
ethyl 5-(dimethylamino)-1,3-dithiane-2-carboxylateMol. Formula:
C9H17NO2S2M.W.:
235.37Type:
Small moleculeAlogP:
1.29Polar Surface Area:
29.54HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS- ALA2289570
Name:
5-(dimethylamino)-2-propyl-1,3-dithiane-2-carbonitrileMol. Formula:
C10H18N2S2M.W.:
230.40Type:
Small moleculeAlogP:
2.42Polar Surface Area:
27.03HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2289569
Name:
5-(dimethylamino)-1,3-dithiane-2,2-dicarbonitrileMol. Formula:
C8H11N3S2M.W.:
213.33Type:
Small moleculeAlogP:
1.14Polar Surface Area:
50.82HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA2289568
Name:
diethyl 2-cyano-5-(dimethylamino)-1,3-dithian-2-ylphosphonateMol. Formula:
C11H21N2O3PS2M.W.:
324.41Type:
Small moleculeAlogP:
2.84Polar Surface Area:
62.56HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2289567
Name:
2-cyano-5-(dimethylamino)-1,3-dithian-2-yl diethylcarbamodithioateMol. Formula:
C12H21N3S4M.W.:
335.59Type:
Small moleculeAlogP:
2.93Polar Surface Area:
30.27HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA2289566
Name:
ethyl 2-cyano-5-(dimethylamino)-1,3-dithiane-2-carboxylateMol. Formula:
C10H16N2O2S2M.W.:
260.38Type:
Small moleculeAlogP:
1.18Polar Surface Area:
53.33HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA2289565
Name:
5-(dimethylamino)-1,3-dithiane-2,2-dicarboxamideMol. Formula:
C8H15N3O2S2M.W.:
249.36Type:
Small moleculeAlogP:
-0.94Polar Surface Area:
89.42HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA2289564
Name:
(5-(dimethylamino)-1,3-dithiane-2,2-diyl)bis(phenylmethanone)Mol. Formula:
C20H21NO2S2M.W.:
371.53Type:
Small moleculeAlogP:
3.86Polar Surface Area:
37.38HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA2289563
Name:
1-(2-benzoyl-5-(dimethylamino)-1,3-dithian-2-yl)ethanoneMol. Formula:
C15H19NO2S2M.W.:
309.46Type:
Small moleculeAlogP:
2.56Polar Surface Area:
37.38HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA2289562
Name:
1,1'-(5-(dimethylamino)-1,3-dithiane-2,2-diyl)diethanoneMol. Formula:
C10H17NO2S2M.W.:
247.38Type:
Small moleculeAlogP:
1.27Polar Surface Area:
37.38HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2289561
Name:
ethyl 2-benzoyl-5-(dimethylamino)-1,3-dithiane-2-carboxylateMol. Formula:
C16H21NO3S2M.W.:
339.48Type:
Small moleculeAlogP:
2.54Polar Surface Area:
46.61HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA2289560
Name:
ethyl 2-acetyl-5-(dimethylamino)-1,3-dithiane-2-carboxylateMol. Formula:
C11H19NO3S2M.W.:
277.41Type:
Small moleculeAlogP:
1.25Polar Surface Area:
46.61HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA2289559
Name:
diethyl 5-(dimethylamino)-1,3-dithiane-2,2-dicarboxylateMol. Formula:
C12H21NO4S2M.W.:
307.44Type:
Small moleculeAlogP:
1.22Polar Surface Area:
55.84HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA2285785
Name:
2-cyano-5-(dimethylamino)-N-methyl-1,3-dithiane-2-carboxamideMol. Formula:
C9H15N3OS2M.W.:
245.37Type:
Small moleculeAlogP:
0.36Polar Surface Area:
56.13HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2285784
Name:
2-cyano-5-(dimethylamino)-1,3-dithiane-2-carboxamideMol. Formula:
C8H13N3OS2M.W.:
231.35Type:
Small moleculeAlogP:
0.10Polar Surface Area:
70.12HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA2285783
Name:
5-(dimethylamino)-2-(2,5-dimethylphenyl)-1,3-dithiane-2-carbonitrileMol. Formula:
C15H20N2S2M.W.:
292.47Type:
Small moleculeAlogP:
3.39Polar Surface Area:
27.03HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS
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