ethyl 4-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | G070-0735 |
Compound Name: | ethyl 4-{[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate |
Molecular Weight: | 462.57 |
Molecular Formula: | C22 H30 N4 O5 S |
Smiles: | CCOC(c1c(c(C)[nH]c1C)S(NCC(N1CCN(CC1)Cc1ccccc1)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.3959 |
logD: | 1.3755 |
logSw: | -2.3952 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 93.471 |
InChI Key: | ALVSMADQCQKXSI-UHFFFAOYSA-N |