N~1~-(3-chloro-4-fluorophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methylpiperazine-1,3-dicarboxamide
Chemical Structure Depiction of
N~1~-(3-chloro-4-fluorophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methylpiperazine-1,3-dicarboxamide
N~1~-(3-chloro-4-fluorophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methylpiperazine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S951-0301 |
| Compound Name: | N~1~-(3-chloro-4-fluorophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-methylpiperazine-1,3-dicarboxamide |
| Molecular Weight: | 483.85 |
| Molecular Formula: | C21 H18 Cl F4 N5 O2 |
| Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2276 |
| logD: | 3.227 |
| logSw: | -3.6883 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.487 |
| InChI Key: | ABZCLRPAOCCCJQ-SFHVURJKSA-N |