1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-4-(4-methylbenzene-1-sulfonyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-4-(4-methylbenzene-1-sulfonyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-4-(4-methylbenzene-1-sulfonyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | F232-1266 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-4-(4-methylbenzene-1-sulfonyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C25 H21 N O6 S |
| Smiles: | Cc1ccc(cc1)S(C1C(c2ccccc2)N(Cc2ccc3c(c2)OCO3)C(C=1O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1685 |
| logD: | 4.1366 |
| logSw: | -4.099 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.976 |
| InChI Key: | DPAWIOODPZHVDT-JOCHJYFZSA-N |