4-{4-[(4-ethoxyphenyl)acetyl]-2-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-[(4-ethoxyphenyl)acetyl]-2-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{4-[(4-ethoxyphenyl)acetyl]-2-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5097 |
| Compound Name: | 4-{4-[(4-ethoxyphenyl)acetyl]-2-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 447.46 |
| Molecular Formula: | C23 H24 F3 N3 O3 |
| Smiles: | [H]OCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(Cc1ccc(cc1)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2038 |
| logD: | 3.2038 |
| logSw: | -3.3297 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.494 |
| InChI Key: | SHWDOCWCUZEAEE-LJQANCHMSA-N |