CBMicro_041281
4-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid
Also Known As: CBMicro_041281|Oprea1_359131|Oprea1_578483|BIM-0041324.P001|AQ-149/13890184|4-[2-(2-fluorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid|4-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid|4-(2-(2-fluorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid|4-{(3E)-2-(2-fluorophenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}butanoic acid
| Molecular Formula | C22H20FNO5 |
|---|---|
| Molecular Weight | 397.13254 g/mol |
| LogP | 3.42062 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.13254 |
| Monoisotopic Mass | 397.13254 |
| Heavy Atoms | 29 |
| Complexity | 996.51715 |
Chemical Identifiers
| CAS Number | 369403-62-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCC(=O)O)C3=CC=CC=C3F)/O |
Product Overview
CBMicro_041281 (CAS 369403-62-3), with molecular formula C22H20FNO5 and molecular weight 397.13254 g/mol. IUPAC: 4-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid.