4-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl}benzoic acid
Chemical Structure Depiction of
4-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl}benzoic acid
4-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl}benzoic acid
Compound characteristics
| Compound ID: | F455-0478 |
| Compound Name: | 4-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl}benzoic acid |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C27 H25 N O6 |
| Smiles: | COc1ccc(CCN2C(C(=C(C2=O)O)c2ccccc2)c2ccc(cc2)C(O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0504 |
| logD: | 1.0789 |
| logSw: | -4.1511 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.736 |
| InChI Key: | ORZGPTUUFNNTKC-DEOSSOPVSA-N |