N~1~-(3-chlorophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~2~-methylpiperazine-1,2-dicarboxamide
Chemical Structure Depiction of
N~1~-(3-chlorophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~2~-methylpiperazine-1,2-dicarboxamide
N~1~-(3-chlorophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~2~-methylpiperazine-1,2-dicarboxamide
Compound characteristics
| Compound ID: | S951-5177 |
| Compound Name: | N~1~-(3-chlorophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~2~-methylpiperazine-1,2-dicarboxamide |
| Molecular Weight: | 465.86 |
| Molecular Formula: | C21 H19 Cl F3 N5 O2 |
| Smiles: | CNC(C1CN(CCN1C(Nc1cccc(c1)[Cl])=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2075 |
| logD: | 3.2075 |
| logSw: | -3.6984 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.487 |
| InChI Key: | PMXCOHWTBLYKLS-SFHVURJKSA-N |