2-{[(4-chlorophenyl)methyl]amino}-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0075 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 448.83 |
| Molecular Formula: | C20 H16 Cl F3 N6 O |
| Smiles: | C(C1=CC(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O)Nc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.1979 |
| logD: | 3.9121 |
| logSw: | -4.6353 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.215 |
| InChI Key: | WPSYYLZOMMQETE-UHFFFAOYSA-N |