1-ethyl-4-methyl-2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-4-methyl-2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
1-ethyl-4-methyl-2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0307 |
| Compound Name: | 1-ethyl-4-methyl-2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C20 H24 N4 O5 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2261 |
| logD: | 0.4269 |
| logSw: | -2.2218 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.145 |
| InChI Key: | SMSBXULMWDHUHA-UHFFFAOYSA-N |