ethyl 2,5-dimethyl-4-(4-phenylpiperazine-1-sulfonyl)-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2,5-dimethyl-4-(4-phenylpiperazine-1-sulfonyl)-1H-pyrrole-3-carboxylate
ethyl 2,5-dimethyl-4-(4-phenylpiperazine-1-sulfonyl)-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | E912-0905 |
| Compound Name: | ethyl 2,5-dimethyl-4-(4-phenylpiperazine-1-sulfonyl)-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C19 H25 N3 O4 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(N1CCN(CC1)c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5436 |
| logD: | 2.5436 |
| logSw: | -2.6982 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.751 |
| InChI Key: | KNKKCRZXYYGRTQ-UHFFFAOYSA-N |