4-[3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
Chemical Structure Depiction of
4-[3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
4-[3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
Compound characteristics
| Compound ID: | 8010-3351 |
| Compound Name: | 4-[3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid |
| Molecular Weight: | 410.38 |
| Molecular Formula: | C21 H18 N2 O7 |
| Smiles: | C(CC(O)=O)CN1C(C(=C(C1=O)O)C(c1ccccc1)=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6409 |
| logD: | -1.18 |
| logSw: | -2.2591 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.842 |
| InChI Key: | AHJNOEXWJJUKCY-GOSISDBHSA-N |