methyl 4-{3-(benzenesulfonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-(benzenesulfonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
methyl 4-{3-(benzenesulfonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Compound characteristics
| Compound ID: | F232-0775 |
| Compound Name: | methyl 4-{3-(benzenesulfonyl)-1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate |
| Molecular Weight: | 507.52 |
| Molecular Formula: | C26 H21 N O8 S |
| Smiles: | COC(c1ccc(cc1)C1C(=C(C(N1Cc1ccc2c(c1)OCO2)=O)O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6465 |
| logD: | 3.6146 |
| logSw: | -3.9397 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.15 |
| InChI Key: | YUGQKJFRVGUWEH-JOCHJYFZSA-N |