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136994-93-9

136994-93-9 | 1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(3-methoxyphenyl)-

CAS No: 136994-93-9 Catalog No: AG0012NT MDL No:

Product Description

Catalog Number:
AG0012NT
Chemical Name:
1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(3-methoxyphenyl)-
CAS Number:
136994-93-9
Molecular Formula:
C16H14N2OS
Molecular Weight:
282.3602
IUPAC Name:
1-(3-methoxyphenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
InChI:
InChI=1S/C16H14N2OS/c1-19-12-6-4-5-11(9-12)16-18-14-8-3-2-7-13(14)17-15(18)10-20-16/h2-9,16H,10H2,1H3
InChI Key:
KZLPIHZICDIAQU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1SCc2n1c1ccccc1n2
NSC Number:
625479

Properties

Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.083g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.361g/mol
Monoisotopic Mass:
282.083g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Literature

Title Journal
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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