N~1~-(3-chloro-4-fluorophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-1,2-dicarboxamide
Chemical Structure Depiction of
N~1~-(3-chloro-4-fluorophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-1,2-dicarboxamide
N~1~-(3-chloro-4-fluorophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-1,2-dicarboxamide
Compound characteristics
| Compound ID: | S951-5142 |
| Compound Name: | N~1~-(3-chloro-4-fluorophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]piperazine-1,2-dicarboxamide |
| Molecular Weight: | 469.82 |
| Molecular Formula: | C20 H16 Cl F4 N5 O2 |
| Smiles: | C1CN(C(CN1c1ccc(C#N)c(c1)C(F)(F)F)C(N)=O)C(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9876 |
| logD: | 2.9874 |
| logSw: | -3.6785 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.71 |
| InChI Key: | JJOJOKXMEUQTJM-KRWDZBQOSA-N |