ethyl 4-(4-benzylpiperazine-1-sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-benzylpiperazine-1-sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-(4-benzylpiperazine-1-sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | E912-0945 |
| Compound Name: | ethyl 4-(4-benzylpiperazine-1-sulfonyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(N1CCN(CC1)Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2246 |
| logD: | 2.2177 |
| logSw: | -2.6048 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.031 |
| InChI Key: | OKPCTUBZBVTAKL-UHFFFAOYSA-N |