ID: ALA2268754

Max Phase: Preclinical

Molecular Formula: C16H25N3O2Si

Molecular Weight: 319.48

Molecule Type: Unknown

Representations

Canonical SMILES:  COc1ccc(C(O)(CC[Si](C)(C)C)Cn2cncn2)cc1

Standard InChI:  InChI=1S/C16H25N3O2Si/c1-21-15-7-5-14(6-8-15)16(20,9-10-22(2,3)4)11-19-13-17-12-18-19/h5-8,12-13,20H,9-11H2,1-4H3

Standard InChI Key:  UQUSELPXMXMCAB-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: 319.48

Molecular Weight (Monoisotopic): 319.1716

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