2-(2-methylphenyl)-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-(2-methylphenyl)-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-(2-methylphenyl)-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0406 |
| Compound Name: | 2-(2-methylphenyl)-5-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 399.37 |
| Molecular Formula: | C20 H16 F3 N5 O |
| Smiles: | Cc1ccccc1c1nc2NC(CNc3cccc(c3)C(F)(F)F)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2691 |
| logD: | 4.2223 |
| logSw: | -4.4336 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.575 |
| InChI Key: | HZZPAZFHNVGXHA-UHFFFAOYSA-N |