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Home > Imidazoles > 137015-79-3
137015-79-3 | Benzonitrile, 3-(1H,3H-thiazolo[3,4-a]benzimidazol-1-yl)-
CAS No: 137015-79-3 Catalog No: AG0012PG MDL No:
Product Description
Catalog Number:
AG0012PG
Chemical Name:
Benzonitrile, 3-(1H,3H-thiazolo[3,4-a]benzimidazol-1-yl)-
CAS Number:
137015-79-3
Molecular Formula:
C16H11N3S
Molecular Weight:
277.3436
IUPAC Name:
3-(1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl)benzonitrile
InChI:
InChI=1S/C16H11N3S/c17-9-11-4-3-5-12(8-11)16-19-14-7-2-1-6-13(14)18-15(19)10-20-16/h1-8,16H,10H2
InChI Key:
IUXOVSWNHQLVOW-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C1SCc2n1c1ccccc1n2
NSC Number:
634465
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.345g/mol
Monoisotopic Mass:
277.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Comparative molecular field analysis (CoMFA) and docking studies of non-nucleoside HIV-1 RT inhibitors (NNIs). | Bioorganic & medicinal chemistry 19991101 |
| Anti-HIV agents. I: Synthesis and in vitro anti-HIV evaluation of novel 1H,3H-thiazolo[3,4-a]benzimidazoles. | Farmaco (Societa chimica italiana : 1989) 19910601 |
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