4-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | S956-0444 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 433.43 |
| Molecular Formula: | C21 H22 F3 N5 O2 |
| Smiles: | CCNC(N1CCN(CC1COc1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7156 |
| logD: | 2.708 |
| logSw: | -2.9236 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.569 |
| InChI Key: | CDRVXLQCIMCQIR-QGZVFWFLSA-N |