6-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Chemical Structure Depiction of
6-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
6-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Compound characteristics
| Compound ID: | 4393-0036 |
| Compound Name: | 6-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-nitrobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid |
| Molecular Weight: | 484.46 |
| Molecular Formula: | C24 H24 N2 O9 |
| Smiles: | COc1cc(ccc1O)C1C(=C(C(N1CCCCCC(O)=O)=O)O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0551 |
| logD: | -0.7731 |
| logSw: | -2.6122 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.021 |
| InChI Key: | XCGMKUOXHUHUGL-OAQYLSRUSA-N |