ID: ALA2268755

Max Phase: Preclinical

Molecular Formula: C15H21F2N3OSi

Molecular Weight: 325.43

Molecule Type: Unknown

Representations

Canonical SMILES:  C[Si](C)(C)CCC(O)(Cn1cncn1)c1ccc(F)cc1F

Standard InChI:  InChI=1S/C15H21F2N3OSi/c1-22(2,3)7-6-15(21,9-20-11-18-10-19-20)13-5-4-12(16)8-14(13)17/h4-5,8,10-11,21H,6-7,9H2,1-3H3

Standard InChI Key:  FNNMOKIDUYOZAA-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: 325.43

Molecular Weight (Monoisotopic): 325.1422

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