AC1NZHPJ
6-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid
Also Known As: CBMicro_038222|BAS 01029115|6-(3-(4-bromobenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid|6-[(3E)-3-[(4-bromophenyl)(hydroxy)methylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid|6-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid|6-[3-(4-bromobenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
| Molecular Formula | C23H21BrFNO5 |
|---|---|
| Molecular Weight | 489.05872 g/mol |
| LogP | 4.6549 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.05872 |
| Monoisotopic Mass | 489.05872 |
| Heavy Atoms | 31 |
| Complexity | 1034.5173 |
Chemical Identifiers
| CAS Number | 333776-71-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2CCCCCC(=O)O |
Product Overview
AC1NZHPJ (CAS 333776-71-9), with molecular formula C23H21BrFNO5 and molecular weight 489.05872 g/mol. IUPAC: 6-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]hexanoic acid.
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