4-[2-(hydroxymethyl)-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[2-(hydroxymethyl)-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[2-(hydroxymethyl)-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5083 |
| Compound Name: | 4-[2-(hydroxymethyl)-4-(pyrimidine-2-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 391.35 |
| Molecular Formula: | C18 H16 F3 N5 O2 |
| Smiles: | [H]OCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(c1ncccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4999 |
| logD: | 0.4999 |
| logSw: | -1.98 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.333 |
| InChI Key: | OUKVCLFOWRTNQZ-CQSZACIVSA-N |