4-[3-(methoxymethyl)-4-(5-methylpyridine-3-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[3-(methoxymethyl)-4-(5-methylpyridine-3-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[3-(methoxymethyl)-4-(5-methylpyridine-3-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0200 |
| Compound Name: | 4-[3-(methoxymethyl)-4-(5-methylpyridine-3-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 418.42 |
| Molecular Formula: | C21 H21 F3 N4 O2 |
| Smiles: | Cc1cc(cnc1)C(N1CCN(CC1COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5396 |
| logD: | 2.5395 |
| logSw: | -2.6276 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.814 |
| InChI Key: | TVNCYWZMJIBQKD-GOSISDBHSA-N |