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874571-86-5 | 1H-Thieno[2,3-d]imidazole-5-carboxylicacid, 1-cyclohexyl-2-phenyl-
CAS No: 874571-86-5 Catalog No: AG004FTT MDL No:
Product Description
Catalog Number:
AG004FTT
Chemical Name:
1H-Thieno[2,3-d]imidazole-5-carboxylicacid, 1-cyclohexyl-2-phenyl-
CAS Number:
874571-86-5
Molecular Formula:
C18H18N2O2S
Molecular Weight:
326.4127
IUPAC Name:
1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid
InChI:
InChI=1S/C18H18N2O2S/c21-18(22)15-11-14-17(23-15)19-16(12-7-3-1-4-8-12)20(14)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,21,22)
InChI Key:
AMZYXSDXTBKFSI-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1)n(c(n2)c1ccccc1)C1CCCCC1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.414g/mol
Monoisotopic Mass:
326.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Identification of thieno[3,2-b]pyrroles as allosteric inhibitors of hepatitis C virus NS5B polymerase. | Bioorganic & medicinal chemistry letters 20060801 |
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