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827038-41-5 | 5-Thiazolecarboxylic acid, 2-[(1-methylethyl)(4-phenoxybenzoyl)amino]-
CAS No: 827038-41-5 Catalog No: AG004VWR MDL No:
Product Description
Catalog Number:
AG004VWR
Chemical Name:
5-Thiazolecarboxylic acid, 2-[(1-methylethyl)(4-phenoxybenzoyl)amino]-
CAS Number:
827038-41-5
Molecular Formula:
C20H18N2O4S
Molecular Weight:
382.4329
IUPAC Name:
2-[(4-phenoxybenzoyl)-propan-2-ylamino]-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C20H18N2O4S/c1-13(2)22(20-21-12-17(27-20)19(24)25)18(23)14-8-10-16(11-9-14)26-15-6-4-3-5-7-15/h3-13H,1-2H3,(H,24,25)
InChI Key:
JNSFZDJLXUZMFH-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)c1ccc(cc1)Oc1ccccc1)c1ncc(s1)C(=O)O)C
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.099g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.434g/mol
Monoisotopic Mass:
382.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Aminothiazole inhibitors of HCV RNA polymerase. | Bioorganic & medicinal chemistry letters 20050103 |
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