1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-4-(4-methylbenzene-1-sulfonyl)-5-(4-methylphenyl)-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-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-4-(4-methylbenzene-1-sulfonyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | F232-1278 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-4-(4-methylbenzene-1-sulfonyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C26 H23 N O6 S |
| Smiles: | Cc1ccc(cc1)C1C(=C(C(N1Cc1ccc2c(c1)OCO2)=O)O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5876 |
| logD: | 4.5557 |
| logSw: | -4.3225 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.976 |
| InChI Key: | HKSHQCURHJHAGW-HSZRJFAPSA-N |