4-{4-[(3-fluorophenyl)acetyl]-3-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-[(3-fluorophenyl)acetyl]-3-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{4-[(3-fluorophenyl)acetyl]-3-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0157 |
| Compound Name: | 4-{4-[(3-fluorophenyl)acetyl]-3-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 435.42 |
| Molecular Formula: | C22 H21 F4 N3 O2 |
| Smiles: | COCC1CN(CCN1C(Cc1cccc(c1)F)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5087 |
| logD: | 3.5087 |
| logSw: | -3.7514 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 44.679 |
| InChI Key: | SRXQEPVGACWHJD-LJQANCHMSA-N |