methyl 4-{4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methylbenzene-1-sulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methylbenzene-1-sulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
methyl 4-{4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methylbenzene-1-sulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Compound characteristics
| Compound ID: | F232-1216 |
| Compound Name: | methyl 4-{4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methylbenzene-1-sulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate |
| Molecular Weight: | 507.56 |
| Molecular Formula: | C27 H25 N O7 S |
| Smiles: | Cc1ccc(cc1)S(C1C(c2ccc(cc2)C(=O)OC)N(Cc2ccc(cc2)OC)C(C=1O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3661 |
| logD: | 4.3342 |
| logSw: | -4.1819 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.578 |
| InChI Key: | QBBAGNGMJQQLPB-HSZRJFAPSA-N |