4-[4-(5-bromopyridine-3-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(5-bromopyridine-3-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(5-bromopyridine-3-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0210 |
| Compound Name: | 4-[4-(5-bromopyridine-3-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 483.29 |
| Molecular Formula: | C20 H18 Br F3 N4 O2 |
| Smiles: | COCC1CN(CCN1C(c1cc(cnc1)[Br])=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2134 |
| logD: | 3.2134 |
| logSw: | -3.1734 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.814 |
| InChI Key: | HQSWCAZBEKQVJU-QGZVFWFLSA-N |