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136995-02-3

136995-02-3 | 1H,3H-Thiazolo[3,4-a]benzimidazole,1-[4-(trifluoromethyl)phenyl]-

CAS No: 136995-02-3 Catalog No: AG0012NM MDL No:

Product Description

Catalog Number:
AG0012NM
Chemical Name:
1H,3H-Thiazolo[3,4-a]benzimidazole,1-[4-(trifluoromethyl)phenyl]-
CAS Number:
136995-02-3
Molecular Formula:
C16H11F3N2S
Molecular Weight:
320.3321
IUPAC Name:
1-[4-(trifluoromethyl)phenyl]-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
InChI:
InChI=1S/C16H11F3N2S/c17-16(18,19)11-7-5-10(6-8-11)15-21-13-4-2-1-3-12(13)20-14(21)9-22-15/h1-8,15H,9H2
InChI Key:
MYYGTKQABBLHEM-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)C1SCc2n1c1ccccc1n2)(F)F
NSC Number:
626760

Properties

Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.06g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.333g/mol
Monoisotopic Mass:
320.06g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

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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