AC1NY5QP
3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid
Also Known As: BAS 02378679|AG-690/40639721|3-(3-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)propanoic acid|3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid|3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid|3-[3-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
| Molecular Formula | C22H20ClNO7 |
|---|---|
| Molecular Weight | 445.09283 g/mol |
| LogP | 3.2536 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.09283 |
| Monoisotopic Mass | 445.09283 |
| Heavy Atoms | 31 |
| Complexity | 1062.0292 |
Chemical Identifiers
| CAS Number | 440096-75-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CCC(=O)O)OC |
Product Overview
AC1NY5QP (CAS 440096-75-3), with molecular formula C22H20ClNO7 and molecular weight 445.09283 g/mol. IUPAC: 3-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoic acid.
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