AC1NWRJA
methyl 2-[(3E)-2-(4-fluorophenyl)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Oprea1_013898|Oprea1_294412|BAS 03539966|methyl 2-[2-(4-fluorophenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate|methyl 2-(2-(4-fluorophenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate|methyl 2-[(3E)-2-(4-fluorophenyl)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate|methyl 2-{(3E)-2-(4-fluorophenyl)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate|methyl 2-{2-(4-fluorophenyl)-4-hydroxy-3-[(4-methoxy-2-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C25H21FN2O6S |
|---|---|
| Molecular Weight | 496.11044 g/mol |
| LogP | 4.32054 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.11044 |
| Monoisotopic Mass | 496.11044 |
| Heavy Atoms | 35 |
| Complexity | 1379.094 |
Chemical Identifiers
| CAS Number | 433256-79-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=C(C=C4)F)/O |
Product Overview
AC1NWRJA (CAS 433256-79-2), with molecular formula C25H21FN2O6S and molecular weight 496.11044 g/mol. IUPAC: methyl 2-[(3E)-2-(4-fluorophenyl)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.