N-(4-fluorophenyl)-2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide
N-(4-fluorophenyl)-2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | P032-1823 |
| Compound Name: | N-(4-fluorophenyl)-2-{7-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl}acetamide |
| Molecular Weight: | 445.37 |
| Molecular Formula: | C21 H15 F4 N5 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc(cc3)F)=O)C(N2C(c2ccc(cc2)C(F)(F)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.957 |
| logD: | 3.8305 |
| logSw: | -4.1066 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.873 |
| InChI Key: | XYYXVYUHIFGSDJ-UHFFFAOYSA-N |