4-[2-(methoxymethyl)-4-(3-methylbenzoyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(methoxymethyl)-4-(3-methylbenzoyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(methoxymethyl)-4-(3-methylbenzoyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5149 |
| Compound Name: | 4-[2-(methoxymethyl)-4-(3-methylbenzoyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 417.43 |
| Molecular Formula: | C22 H22 F3 N3 O2 |
| Smiles: | Cc1cccc(c1)C(N1CCN(C(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3875 |
| logD: | 3.3875 |
| logSw: | -3.6683 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.207 |
| InChI Key: | KSEIFDRWMDVTKI-LJQANCHMSA-N |