ethyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F378-0085 |
| Compound Name: | ethyl 4-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 439.96 |
| Molecular Formula: | C20 H26 Cl N3 O4 S |
| Smiles: | CCOC(c1c(C)c(c(C)[nH]1)S(N1CCN(CC1)c1cc(ccc1C)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9277 |
| logD: | 3.9277 |
| logSw: | -4.2463 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.644 |
| InChI Key: | HKRPKEOBUQQFCC-UHFFFAOYSA-N |