methyl 4-{4-hydroxy-3-(4-methylbenzene-1-sulfonyl)-5-oxo-1-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{4-hydroxy-3-(4-methylbenzene-1-sulfonyl)-5-oxo-1-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-yl}benzoate
methyl 4-{4-hydroxy-3-(4-methylbenzene-1-sulfonyl)-5-oxo-1-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Compound characteristics
| Compound ID: | F232-1075 |
| Compound Name: | methyl 4-{4-hydroxy-3-(4-methylbenzene-1-sulfonyl)-5-oxo-1-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-yl}benzoate |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C28 H27 N O6 S |
| Smiles: | CC(C)c1ccc(cc1)N1C(C(=C(C1=O)O)S(c1ccc(C)cc1)(=O)=O)c1ccc(cc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6961 |
| logD: | 5.6849 |
| logSw: | -5.4895 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.423 |
| InChI Key: | RVYBYNKZYBISQF-XMMPIXPASA-N |