4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-fluorophenyl)-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-fluorophenyl)-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-fluorophenyl)-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | S956-0438 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-fluorophenyl)-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 499.47 |
| Molecular Formula: | C25 H21 F4 N5 O2 |
| Smiles: | C1CN(C(CN1c1ccc(C#N)c(c1)C(F)(F)F)COc1cccnc1)C(Nc1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1302 |
| logD: | 4.1226 |
| logSw: | -4.0889 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.651 |
| InChI Key: | ZRAOUYNNMOQIQG-LJQANCHMSA-N |