4-[4-cyano-3-(trifluoromethyl)phenyl]-N-propyl-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-propyl-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-propyl-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | S956-0481 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-propyl-2-{[(pyridin-3-yl)oxy]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 447.46 |
| Molecular Formula: | C22 H24 F3 N5 O2 |
| Smiles: | CCCNC(N1CCN(CC1COc1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4254 |
| logD: | 3.4178 |
| logSw: | -3.4978 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.784 |
| InChI Key: | ZTNINTWAEOFDNQ-GOSISDBHSA-N |