4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methyl-N~1~-[3-(methylsulfanyl)phenyl]piperazine-1,3-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methyl-N~1~-[3-(methylsulfanyl)phenyl]piperazine-1,3-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methyl-N~1~-[3-(methylsulfanyl)phenyl]piperazine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S951-0283 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methyl-N~1~-[3-(methylsulfanyl)phenyl]piperazine-1,3-dicarboxamide |
| Molecular Weight: | 477.51 |
| Molecular Formula: | C22 H22 F3 N5 O2 S |
| Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(Nc1cccc(c1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9584 |
| logD: | 2.9584 |
| logSw: | -3.5199 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.487 |
| InChI Key: | KXRORTSGMAZLTF-IBGZPJMESA-N |