ID: ALA2268761

Max Phase: Preclinical

Molecular Formula: C16H23Cl2N3OSi

Molecular Weight: 372.37

Molecule Type: Unknown

Representations

Canonical SMILES:  C[Si](C)(C)CCCC(O)(Cn1cncn1)c1ccc(Cl)c(Cl)c1

Standard InChI:  InChI=1S/C16H23Cl2N3OSi/c1-23(2,3)8-4-7-16(22,10-21-12-19-11-20-21)13-5-6-14(17)15(18)9-13/h5-6,9,11-12,22H,4,7-8,10H2,1-3H3

Standard InChI Key:  BWQSHUJGRGAAKH-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 372.37

Molecular Weight (Monoisotopic): 371.0987

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Itoh H, Yoneda R, Tobitsuka J, Ohta H, Takahi Y, Tsuda M, Takeshiba H..  (2003)  Synthesis of 1-triazolyl-4-trimethylsilyl-2-butanol and 1-triazolyl-5-trimethylsilyl-2-pentanol derivatives and an investigation of their fungicidal activities.,  51  (9): [PMID:12951461] [10.1248/cpb.51.1113]

Source

Source(1):

• Scientific Literature