4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2-ethylbutanoyl)-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2-ethylbutanoyl)-N-methylpiperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2-ethylbutanoyl)-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5173 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2-ethylbutanoyl)-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 410.44 |
| Molecular Formula: | C20 H25 F3 N4 O2 |
| Smiles: | CCC(CC)C(N1CCN(CC1C(NC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6179 |
| logD: | 2.6179 |
| logSw: | -3.0374 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.938 |
| InChI Key: | UMTYYWGCFNSBFX-KRWDZBQOSA-N |