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827038-51-7 | 4-Thiazolecarboxylic acid, 2-[cyclohexyl(4-phenoxybenzoyl)amino]-
CAS No: 827038-51-7 Catalog No: AG004VVA MDL No:
Product Description
Catalog Number:
AG004VVA
Chemical Name:
4-Thiazolecarboxylic acid, 2-[cyclohexyl(4-phenoxybenzoyl)amino]-
CAS Number:
827038-51-7
Molecular Formula:
C23H22N2O4S
Molecular Weight:
422.4968
IUPAC Name:
2-[cyclohexyl-(4-phenoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C23H22N2O4S/c26-21(16-11-13-19(14-12-16)29-18-9-5-2-6-10-18)25(17-7-3-1-4-8-17)23-24-20(15-30-23)22(27)28/h2,5-6,9-15,17H,1,3-4,7-8H2,(H,27,28)
InChI Key:
GSWQBAFNNQTADU-UHFFFAOYSA-N
SMILES:
O=C(N(c1scc(n1)C(=O)O)C1CCCCC1)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.13g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.499g/mol
Monoisotopic Mass:
422.13g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Aminothiazole inhibitors of HCV RNA polymerase. | Bioorganic & medicinal chemistry letters 20050103 |
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