4-(benzenesulfonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-[4-(methylsulfanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-(benzenesulfonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-[4-(methylsulfanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
4-(benzenesulfonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-[4-(methylsulfanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | F232-0767 |
| Compound Name: | 4-(benzenesulfonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-5-[4-(methylsulfanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 495.57 |
| Molecular Formula: | C25 H21 N O6 S2 |
| Smiles: | CSc1ccc(cc1)C1C(=C(C(N1Cc1ccc2c(c1)OCO2)=O)O)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2751 |
| logD: | 4.2432 |
| logSw: | -4.1986 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.976 |
| InChI Key: | YHPJEVRSGPDEGU-JOCHJYFZSA-N |