methyl 4-{4-hydroxy-1-[(3-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-[(3-methoxyphenyl)methyl]-3-(4-methylbenzene-1-sulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
methyl 4-{4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzene-1-sulfonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Compound characteristics
Compound ID: | F232-1172 |
Compound Name: | methyl 4-{4-hydroxy-1-[(3-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(Cc2cccc(c2)OC)C(C=1O)=O)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.4391 |
logD: | 4.4072 |
logSw: | -4.3316 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 89.578 |
InChI Key: | QNHJWILBQQPJAR-HSZRJFAPSA-N |