2-{[(4-fluorophenyl)methyl]amino}-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-fluorophenyl)methyl]amino}-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-fluorophenyl)methyl]amino}-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0275 |
| Compound Name: | 2-{[(4-fluorophenyl)methyl]amino}-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 432.38 |
| Molecular Formula: | C20 H16 F4 N6 O |
| Smiles: | C(C1=CC(n2c(N1)nc(NCc1ccc(cc1)F)n2)=O)Nc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.6322 |
| logD: | 3.3464 |
| logSw: | -4.0233 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.215 |
| InChI Key: | GRULZSMWRPJOAB-UHFFFAOYSA-N |