1-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-ethylphenyl)-3-hydroxy-4-(4-methylbenzene-1-sulfonyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-ethylphenyl)-3-hydroxy-4-(4-methylbenzene-1-sulfonyl)-1,5-dihydro-2H-pyrrol-2-one
1-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-ethylphenyl)-3-hydroxy-4-(4-methylbenzene-1-sulfonyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | F232-1280 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(4-ethylphenyl)-3-hydroxy-4-(4-methylbenzene-1-sulfonyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 491.56 |
| Molecular Formula: | C27 H25 N O6 S |
| Smiles: | CCc1ccc(cc1)C1C(=C(C(N1Cc1ccc2c(c1)OCO2)=O)O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0948 |
| logD: | 5.063 |
| logSw: | -4.7368 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.976 |
| InChI Key: | YAFGIFFBYMBERQ-XMMPIXPASA-N |