ethyl 4-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | E912-0944 |
| Compound Name: | ethyl 4-[4-(4-acetylphenyl)piperazine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C21 H27 N3 O5 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(N1CCN(CC1)c1ccc(cc1)C(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2072 |
| logD: | 2.2072 |
| logSw: | -2.6365 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.578 |
| InChI Key: | VYSPPRRGGYFDEL-UHFFFAOYSA-N |