ethyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | E912-0916 |
| Compound Name: | ethyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 439.96 |
| Molecular Formula: | C20 H26 Cl N3 O4 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(N1CCN(CC1)c1cc(ccc1C)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8262 |
| logD: | 3.8262 |
| logSw: | -4.6689 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.45 |
| InChI Key: | QZEAWSURVMIONQ-UHFFFAOYSA-N |