AC1NWPBR
ethyl 2-[(3E)-2-(3-chlorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Oprea1_659768|SR-01000491549-1|ethyl 2-[2-(3-chlorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate|ethyl 2-[2-(3-chlorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate|ethyl 2-[(3E)-2-(3-chlorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate|ethyl 2-[2-(3-chlorophenyl)-4-hydroxy-3-[(4-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate|ethyl 2-{2-(3-chlorophenyl)-4-hydroxy-3-[(4-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C25H21ClN2O5S |
|---|---|
| Molecular Weight | 496.08597 g/mol |
| LogP | 5.21634 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.08597 |
| Monoisotopic Mass | 496.08597 |
| Heavy Atoms | 34 |
| Complexity | 1329.3289 |
Chemical Identifiers
| CAS Number | 432003-45-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=CC=C(C=C3)C)\O)/C(=O)C2=O)C4=CC(=CC=C4)Cl)C |
Product Overview
AC1NWPBR (CAS 432003-45-7), with molecular formula C25H21ClN2O5S and molecular weight 496.08597 g/mol. IUPAC: ethyl 2-[(3E)-2-(3-chlorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.