4-{4-[(4-fluorophenoxy)acetyl]-3-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-[(4-fluorophenoxy)acetyl]-3-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{4-[(4-fluorophenoxy)acetyl]-3-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0041 |
| Compound Name: | 4-{4-[(4-fluorophenoxy)acetyl]-3-(hydroxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 437.39 |
| Molecular Formula: | C21 H19 F4 N3 O3 |
| Smiles: | [H]OCC1CN(CCN1C(COc1ccc(cc1)F)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5068 |
| logD: | 2.5068 |
| logSw: | -2.9011 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.87 |
| InChI Key: | VRWSGPYCLINZJB-QGZVFWFLSA-N |