5-[(2-fluoroanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2-fluoroanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2-fluoroanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0129 |
| Compound Name: | 5-[(2-fluoroanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 378.41 |
| Molecular Formula: | C20 H19 F N6 O |
| Smiles: | Cc1ccc(CNc2nc3NC(CNc4ccccc4F)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1431 |
| logD: | 2.8573 |
| logSw: | -3.2645 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.518 |
| InChI Key: | XQAYDAKHIOCTQK-UHFFFAOYSA-N |