4-[4-(3-methylbutanoyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(3-methylbutanoyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(3-methylbutanoyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0432 |
| Compound Name: | 4-[4-(3-methylbutanoyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 446.47 |
| Molecular Formula: | C23 H25 F3 N4 O2 |
| Smiles: | CC(C)CC(N1CCN(CC1COc1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5932 |
| logD: | 3.5856 |
| logSw: | -3.545 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.272 |
| InChI Key: | APSRINRTFFMZPK-LJQANCHMSA-N |