ethyl 4-[4-(2,4-dimethylphenyl)piperazine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(2,4-dimethylphenyl)piperazine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-[4-(2,4-dimethylphenyl)piperazine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | E912-0914 |
| Compound Name: | ethyl 4-[4-(2,4-dimethylphenyl)piperazine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(N1CCN(CC1)c1ccc(C)cc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8813 |
| logD: | 3.8813 |
| logSw: | -4.0983 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.45 |
| InChI Key: | SGUCZTOZFSOCMR-UHFFFAOYSA-N |