4-[4-(2,5-dimethylfuran-3-carbonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(2,5-dimethylfuran-3-carbonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(2,5-dimethylfuran-3-carbonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5142 |
| Compound Name: | 4-[4-(2,5-dimethylfuran-3-carbonyl)-2-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 421.42 |
| Molecular Formula: | C21 H22 F3 N3 O3 |
| Smiles: | Cc1cc(C(N2CCN(C(C2)COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)c(C)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1032 |
| logD: | 3.1032 |
| logSw: | -3.1896 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.954 |
| InChI Key: | SBWZGDRMLBZKRC-QGZVFWFLSA-N |