ethyl 2,5-dimethyl-4-({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfamoyl)-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2,5-dimethyl-4-({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfamoyl)-1H-pyrrole-3-carboxylate
ethyl 2,5-dimethyl-4-({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfamoyl)-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G070-1619 |
| Compound Name: | ethyl 2,5-dimethyl-4-({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfamoyl)-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 493.54 |
| Molecular Formula: | C21 H27 N5 O7 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(NCC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7621 |
| logD: | 1.7571 |
| logSw: | -2.6022 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 126.573 |
| InChI Key: | MNSYAJJVQUYMLL-UHFFFAOYSA-N |