4-{3-(phenoxymethyl)-4-[(pyridin-4-yl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{3-(phenoxymethyl)-4-[(pyridin-4-yl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{3-(phenoxymethyl)-4-[(pyridin-4-yl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0380 |
| Compound Name: | 4-{3-(phenoxymethyl)-4-[(pyridin-4-yl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 480.49 |
| Molecular Formula: | C26 H23 F3 N4 O2 |
| Smiles: | C(C(N1CCN(CC1COc1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F)=O)c1ccncc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6428 |
| logD: | 3.6301 |
| logSw: | -3.9154 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.911 |
| InChI Key: | KEHQFRMMARVERC-JOCHJYFZSA-N |