4-{2-(methoxymethyl)-4-[(pyridin-3-yl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{2-(methoxymethyl)-4-[(pyridin-3-yl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{2-(methoxymethyl)-4-[(pyridin-3-yl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5188 |
| Compound Name: | 4-{2-(methoxymethyl)-4-[(pyridin-3-yl)acetyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 418.42 |
| Molecular Formula: | C21 H21 F3 N4 O2 |
| Smiles: | COCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(Cc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1238 |
| logD: | 2.1152 |
| logSw: | -2.5202 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.197 |
| InChI Key: | OOZKSWQVVCGJDS-GOSISDBHSA-N |