4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3,5-difluorophenyl)-N~3~-methylpiperazine-1,3-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3,5-difluorophenyl)-N~3~-methylpiperazine-1,3-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3,5-difluorophenyl)-N~3~-methylpiperazine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S951-0306 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3,5-difluorophenyl)-N~3~-methylpiperazine-1,3-dicarboxamide |
| Molecular Weight: | 467.4 |
| Molecular Formula: | C21 H18 F5 N5 O2 |
| Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(Nc1cc(cc(c1)F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9598 |
| logD: | 2.9591 |
| logSw: | -3.347 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.487 |
| InChI Key: | ZCCLQFIPPGDFPU-SFHVURJKSA-N |