4-[4-hydroxy-3-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoic acid
Chemical Structure Depiction of
4-[4-hydroxy-3-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoic acid
4-[4-hydroxy-3-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | F455-0434 |
| Compound Name: | 4-[4-hydroxy-3-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoic acid |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C26 H23 N O4 S |
| Smiles: | Cc1ccc(cc1)C1C(c2ccc(cc2)C(O)=O)N(Cc2ccc(cc2)SC)C(C=1O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3121 |
| logD: | 2.3406 |
| logSw: | -5.1873 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.496 |
| InChI Key: | JIMMJUTYOFAADK-HSZRJFAPSA-N |