4-[4-(3,4-dimethylbenzoyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(3,4-dimethylbenzoyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(3,4-dimethylbenzoyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5010 |
| Compound Name: | 4-[4-(3,4-dimethylbenzoyl)-2-(hydroxymethyl)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(c1ccc(C)c(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.426 |
| logD: | 3.426 |
| logSw: | -3.5005 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.898 |
| InChI Key: | VQDQEDBFDYUUCS-LJQANCHMSA-N |