N-(4-bromo-3-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
N-(4-bromo-3-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | S471-1000 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide |
| Molecular Weight: | 443.26 |
| Molecular Formula: | C18 H18 Br F3 N4 O |
| Smiles: | Cc1cc(ccc1[Br])NC(C1CCN(CC1)c1cc(C(F)(F)F)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6117 |
| logD: | 4.6113 |
| logSw: | -4.314 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.056 |
| InChI Key: | ROHOOZZKZNTEJG-UHFFFAOYSA-N |