4-[4-(4-methoxybenzoyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(4-methoxybenzoyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(4-methoxybenzoyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0430 |
| Compound Name: | 4-[4-(4-methoxybenzoyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 496.49 |
| Molecular Formula: | C26 H23 F3 N4 O3 |
| Smiles: | COc1ccc(cc1)C(N1CCN(CC1COc1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7729 |
| logD: | 3.7653 |
| logSw: | -3.7842 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.072 |
| InChI Key: | BGWBACWBBCXPRJ-OAQYLSRUSA-N |