methyl 4-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-1H-pyrrole-2-carboxylate
methyl 4-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G070-1228 |
| Compound Name: | methyl 4-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 394.4 |
| Molecular Formula: | C16 H18 N4 O6 S |
| Smiles: | COC(c1cc(c[nH]1)S(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0492 |
| logD: | 2.0492 |
| logSw: | -2.8537 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.921 |
| InChI Key: | VZWVGPNTEAEMSF-UHFFFAOYSA-N |