methyl 4-{4-hydroxy-3-(4-methylbenzene-1-sulfonyl)-1-[(4-methylphenyl)methyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{4-hydroxy-3-(4-methylbenzene-1-sulfonyl)-1-[(4-methylphenyl)methyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
methyl 4-{4-hydroxy-3-(4-methylbenzene-1-sulfonyl)-1-[(4-methylphenyl)methyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Compound characteristics
| Compound ID: | F232-1194 |
| Compound Name: | methyl 4-{4-hydroxy-3-(4-methylbenzene-1-sulfonyl)-1-[(4-methylphenyl)methyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate |
| Molecular Weight: | 491.56 |
| Molecular Formula: | C27 H25 N O6 S |
| Smiles: | Cc1ccc(CN2C(C(=C(C2=O)O)S(c2ccc(C)cc2)(=O)=O)c2ccc(cc2)C(=O)OC)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8071 |
| logD: | 4.7752 |
| logSw: | -4.4511 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.034 |
| InChI Key: | WZBAUNGRDRZTTP-HSZRJFAPSA-N |