methyl 4-{3-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
methyl 4-{3-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Compound characteristics
| Compound ID: | F232-0731 |
| Compound Name: | methyl 4-{3-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate |
| Molecular Weight: | 497.95 |
| Molecular Formula: | C25 H20 Cl N O6 S |
| Smiles: | COC(c1ccc(cc1)C1C(=C(C(N1Cc1ccc(cc1)[Cl])=O)O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.37 |
| logD: | 4.3381 |
| logSw: | -4.7939 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.034 |
| InChI Key: | ATUSRXVGFYCFEU-OAQYLSRUSA-N |