6-{3-hydroxy-4-(4-nitrobenzoyl)-2-oxo-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid
Chemical Structure Depiction of
6-{3-hydroxy-4-(4-nitrobenzoyl)-2-oxo-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid
6-{3-hydroxy-4-(4-nitrobenzoyl)-2-oxo-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid
Compound characteristics
| Compound ID: | 4393-0043 |
| Compound Name: | 6-{3-hydroxy-4-(4-nitrobenzoyl)-2-oxo-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid |
| Molecular Weight: | 480.52 |
| Molecular Formula: | C26 H28 N2 O7 |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C(N1CCCCCC(O)=O)=O)O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1475 |
| logD: | 1.3193 |
| logSw: | -4.0366 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.842 |
| InChI Key: | DMYXLIQQIKMVBE-HSZRJFAPSA-N |