methyl 4-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-1H-pyrrole-2-carboxylate
methyl 4-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E511-3857 |
| Compound Name: | methyl 4-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 391.44 |
| Molecular Formula: | C18 H21 N3 O5 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)S(c1cc(C(=O)OC)[nH]c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6657 |
| logD: | 1.6657 |
| logSw: | -2.5952 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.366 |
| InChI Key: | JCNLEFLOGIYCBW-UHFFFAOYSA-N |