4-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoic acid
Chemical Structure Depiction of
4-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoic acid
4-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoic acid
Compound characteristics
| Compound ID: | F455-0480 |
| Compound Name: | 4-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoic acid |
| Molecular Weight: | 489.52 |
| Molecular Formula: | C28 H27 N O7 |
| Smiles: | COc1ccc(cc1)C1C(c2ccc(cc2)C(O)=O)N(CCc2ccc(c(c2)OC)OC)C(C=1O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1378 |
| logD: | 1.1663 |
| logSw: | -4.1707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.279 |
| InChI Key: | MIVGIZAJBSAHHZ-VWLOTQADSA-N |