4-(4-hydroxy-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl)benzoic acid
Chemical Structure Depiction of
4-(4-hydroxy-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl)benzoic acid
4-(4-hydroxy-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | F455-0433 |
| Compound Name: | 4-(4-hydroxy-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl)benzoic acid |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C25 H21 N O4 S |
| Smiles: | CSc1ccc(CN2C(C(=C(C2=O)O)c2ccccc2)c2ccc(cc2)C(O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7837 |
| logD: | 1.8122 |
| logSw: | -4.4021 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.496 |
| InChI Key: | UMLPUPAIRZBJCI-JOCHJYFZSA-N |