N~1~-benzyl-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methylpiperazine-1,3-dicarboxamide
Chemical Structure Depiction of
N~1~-benzyl-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methylpiperazine-1,3-dicarboxamide
N~1~-benzyl-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methylpiperazine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S951-0208 |
| Compound Name: | N~1~-benzyl-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methylpiperazine-1,3-dicarboxamide |
| Molecular Weight: | 445.44 |
| Molecular Formula: | C22 H22 F3 N5 O2 |
| Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.125 |
| logD: | 2.125 |
| logSw: | -3.1778 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.809 |
| InChI Key: | WLAOPASFOJBXTJ-IBGZPJMESA-N |