1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(ethanesulfonyl)-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(ethanesulfonyl)-N-methylpiperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(ethanesulfonyl)-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0176 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(ethanesulfonyl)-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 404.41 |
| Molecular Formula: | C16 H19 F3 N4 O3 S |
| Smiles: | CCS(N1CCN(C(C1)C(NC)=O)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9396 |
| logD: | 0.9396 |
| logSw: | -2.5496 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.895 |
| InChI Key: | ZUSWFJHWZGEHNA-AWEZNQCLSA-N |