4-[4-acetyl-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-acetyl-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-acetyl-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0392 |
| Compound Name: | 4-[4-acetyl-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C21 H20 F3 N3 O2 |
| Smiles: | CC(N1CCN(CC1COc1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3338 |
| logD: | 3.3338 |
| logSw: | -3.6884 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 44.75 |
| InChI Key: | LMSWIQQWKIJSRM-GOSISDBHSA-N |