ethyl 2,5-dimethyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2,5-dimethyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-1H-pyrrole-3-carboxylate
ethyl 2,5-dimethyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | E912-0953 |
| Compound Name: | ethyl 2,5-dimethyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 459.49 |
| Molecular Formula: | C20 H24 F3 N3 O4 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(N1CCN(CC1)c1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3443 |
| logD: | 3.3443 |
| logSw: | -3.7484 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.751 |
| InChI Key: | LRMCQMBJEOKVTC-UHFFFAOYSA-N |