3-hydroxy-4-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
3-hydroxy-4-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
3-hydroxy-4-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | F455-0574 |
| Compound Name: | 3-hydroxy-4-(4-methylphenyl)-1-{[4-(methylsulfanyl)phenyl]methyl}-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C28 H29 N O2 S |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C(N1Cc1ccc(cc1)SC)=O)O)c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8021 |
| logD: | 6.8015 |
| logSw: | -5.6063 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.0882 |
| InChI Key: | PORCATRCAGZRFB-AREMUKBSSA-N |