2-{[(2-methoxyphenyl)methyl]amino}-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(2-methoxyphenyl)methyl]amino}-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(2-methoxyphenyl)methyl]amino}-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0325 |
| Compound Name: | 2-{[(2-methoxyphenyl)methyl]amino}-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 444.41 |
| Molecular Formula: | C21 H19 F3 N6 O2 |
| Smiles: | COc1ccccc1CNc1nc2NC(CNc3cccc(c3)C(F)(F)F)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8245 |
| logD: | 3.5387 |
| logSw: | -4.0945 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.846 |
| InChI Key: | VLIWHRZKCRAICS-UHFFFAOYSA-N |