4-[3-(methoxymethyl)-4-(oxane-4-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[3-(methoxymethyl)-4-(oxane-4-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[3-(methoxymethyl)-4-(oxane-4-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0180 |
| Compound Name: | 4-[3-(methoxymethyl)-4-(oxane-4-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 411.42 |
| Molecular Formula: | C20 H24 F3 N3 O3 |
| Smiles: | COCC1CN(CCN1C(C1CCOCC1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3371 |
| logD: | 2.3371 |
| logSw: | -2.8671 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.307 |
| InChI Key: | MMDBMAHLDWEENI-QGZVFWFLSA-N |