6-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Chemical Structure Depiction of
6-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
6-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Compound characteristics
| Compound ID: | 4393-0031 |
| Compound Name: | 6-[2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid |
| Molecular Weight: | 498.49 |
| Molecular Formula: | C25 H26 N2 O9 |
| Smiles: | COc1ccc(cc1OC)C1C(=C(C(N1CCCCCC(O)=O)=O)O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4719 |
| logD: | -0.3563 |
| logSw: | -2.7384 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.103 |
| InChI Key: | PBQZUZZDZPHDMB-JOCHJYFZSA-N |