N~1~-(2-chloro-4-methylphenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methylpiperazine-1,3-dicarboxamide
Chemical Structure Depiction of
N~1~-(2-chloro-4-methylphenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methylpiperazine-1,3-dicarboxamide
N~1~-(2-chloro-4-methylphenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methylpiperazine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S951-0266 |
| Compound Name: | N~1~-(2-chloro-4-methylphenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methylpiperazine-1,3-dicarboxamide |
| Molecular Weight: | 479.89 |
| Molecular Formula: | C22 H21 Cl F3 N5 O2 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(N1CCN(C(C1)C(NC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6173 |
| logD: | 3.6173 |
| logSw: | -3.8831 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.789 |
| InChI Key: | VATHRIMEOGNBOR-IBGZPJMESA-N |