methyl 4-(4-hydroxy-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(4-hydroxy-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl)benzoate
methyl 4-(4-hydroxy-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Compound characteristics
| Compound ID: | F455-0439 |
| Compound Name: | methyl 4-(4-hydroxy-1-{[4-(methylsulfanyl)phenyl]methyl}-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrol-2-yl)benzoate |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C26 H23 N O4 S |
| Smiles: | COC(c1ccc(cc1)C1C(=C(C(N1Cc1ccc(cc1)SC)=O)O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0262 |
| logD: | 5.0256 |
| logSw: | -4.5523 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.262 |
| InChI Key: | WPXILNZVMJZSOG-HSZRJFAPSA-N |