2-(4-chlorophenyl)-5-{[2-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-5-{[2-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(4-chlorophenyl)-5-{[2-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0095 |
| Compound Name: | 2-(4-chlorophenyl)-5-{[2-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 419.79 |
| Molecular Formula: | C19 H13 Cl F3 N5 O |
| Smiles: | C(C1=CC(n2c(N1)nc(c1ccc(cc1)[Cl])n2)=O)Nc1ccccc1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.7166 |
| logD: | 4.5136 |
| logSw: | -5.0729 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.877 |
| InChI Key: | MCLQHPJNUNDKNU-UHFFFAOYSA-N |