4-{2-(hydroxymethyl)-4-[(4-methylphenyl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{2-(hydroxymethyl)-4-[(4-methylphenyl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{2-(hydroxymethyl)-4-[(4-methylphenyl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5015 |
| Compound Name: | 4-{2-(hydroxymethyl)-4-[(4-methylphenyl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 417.43 |
| Molecular Formula: | C22 H22 F3 N3 O2 |
| Smiles: | [H]OCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(Cc1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2582 |
| logD: | 3.2582 |
| logSw: | -3.1891 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.371 |
| InChI Key: | KMSKGWJDUQSGRK-LJQANCHMSA-N |