4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(4-fluorophenyl)piperazine-1,2-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(4-fluorophenyl)piperazine-1,2-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(4-fluorophenyl)piperazine-1,2-dicarboxamide
Compound characteristics
| Compound ID: | S951-5114 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(4-fluorophenyl)piperazine-1,2-dicarboxamide |
| Molecular Weight: | 435.38 |
| Molecular Formula: | C20 H17 F4 N5 O2 |
| Smiles: | C1CN(C(CN1c1ccc(C#N)c(c1)C(F)(F)F)C(N)=O)C(Nc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2865 |
| logD: | 2.2865 |
| logSw: | -3.1855 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.71 |
| InChI Key: | JTIRBHRZXRYDLW-KRWDZBQOSA-N |