methyl 4-[4-hydroxy-3-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Chemical Structure Depiction of
methyl 4-[4-hydroxy-3-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
methyl 4-[4-hydroxy-3-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Compound characteristics
| Compound ID: | F455-0440 |
| Compound Name: | methyl 4-[4-hydroxy-3-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate |
| Molecular Weight: | 459.56 |
| Molecular Formula: | C27 H25 N O4 S |
| Smiles: | Cc1ccc(cc1)C1C(c2ccc(cc2)C(=O)OC)N(Cc2ccc(cc2)SC)C(C=1O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5546 |
| logD: | 5.554 |
| logSw: | -5.3766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.262 |
| InChI Key: | PNMGBKQXMAWVOT-XMMPIXPASA-N |