4-[3-(hydroxymethyl)-4-(thiophene-3-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[3-(hydroxymethyl)-4-(thiophene-3-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[3-(hydroxymethyl)-4-(thiophene-3-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0047 |
| Compound Name: | 4-[3-(hydroxymethyl)-4-(thiophene-3-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 395.4 |
| Molecular Formula: | C18 H16 F3 N3 O2 S |
| Smiles: | [H]OCC1CN(CCN1C(c1ccsc1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5216 |
| logD: | 2.5216 |
| logSw: | -2.9397 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.917 |
| InChI Key: | ITDLLCZOBYNYDD-OAHLLOKOSA-N |