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827038-40-4 | 5-Thiazolecarboxylic acid, 2-[(4-phenoxybenzoyl)amino]-
CAS No: 827038-40-4 Catalog No: AG004VWS MDL No:
Product Description
Catalog Number:
AG004VWS
Chemical Name:
5-Thiazolecarboxylic acid, 2-[(4-phenoxybenzoyl)amino]-
CAS Number:
827038-40-4
Molecular Formula:
C17H12N2O4S
Molecular Weight:
340.3532
IUPAC Name:
2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C17H12N2O4S/c20-15(19-17-18-10-14(24-17)16(21)22)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H,21,22)(H,18,19,20)
InChI Key:
SFTKMQJXDJTOSO-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Oc1ccccc1)Nc1ncc(s1)C(=O)O
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.052g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.353g/mol
Monoisotopic Mass:
340.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Aminothiazole inhibitors of HCV RNA polymerase. | Bioorganic & medicinal chemistry letters 20050103 |
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