4-[4-(5-methylpyrazine-2-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(5-methylpyrazine-2-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(5-methylpyrazine-2-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0375 |
| Compound Name: | 4-[4-(5-methylpyrazine-2-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 481.48 |
| Molecular Formula: | C25 H22 F3 N5 O2 |
| Smiles: | Cc1cnc(cn1)C(N1CCN(CC1COc1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6175 |
| logD: | 3.6175 |
| logSw: | -3.6314 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.092 |
| InChI Key: | RDKCZTMJXBBROU-HXUWFJFHSA-N |