2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}-N-(4-methylphenyl)acetamide
2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | P032-1820 |
| Compound Name: | 2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 441.41 |
| Molecular Formula: | C22 H18 F3 N5 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc(C)cc3)=O)C(N2C(c2ccc(cc2)C(F)(F)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3513 |
| logD: | 4.2249 |
| logSw: | -4.2878 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.873 |
| InChI Key: | FBUSONAOFBDQMK-UHFFFAOYSA-N |