4-{3-(hydroxymethyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{3-(hydroxymethyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{3-(hydroxymethyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0039 |
| Compound Name: | 4-{3-(hydroxymethyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 447.46 |
| Molecular Formula: | C23 H24 F3 N3 O3 |
| Smiles: | [H]OCC1CN(CCN1C(CCc1ccc(cc1)OC)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1805 |
| logD: | 3.1805 |
| logSw: | -3.3632 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.915 |
| InChI Key: | VZOAQGJGUKFFBY-LJQANCHMSA-N |