methyl 4-{1-[(4-chlorophenyl)methyl]-4-hydroxy-3-(4-methylbenzene-1-sulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{1-[(4-chlorophenyl)methyl]-4-hydroxy-3-(4-methylbenzene-1-sulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
methyl 4-{1-[(4-chlorophenyl)methyl]-4-hydroxy-3-(4-methylbenzene-1-sulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Compound characteristics
| Compound ID: | F232-1237 |
| Compound Name: | methyl 4-{1-[(4-chlorophenyl)methyl]-4-hydroxy-3-(4-methylbenzene-1-sulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate |
| Molecular Weight: | 511.98 |
| Molecular Formula: | C26 H22 Cl N O6 S |
| Smiles: | Cc1ccc(cc1)S(C1C(c2ccc(cc2)C(=O)OC)N(Cc2ccc(cc2)[Cl])C(C=1O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9784 |
| logD: | 4.9466 |
| logSw: | -5.099 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.034 |
| InChI Key: | UBUGWLNVYZFFKC-JOCHJYFZSA-N |