2-{[(4-ethoxyphenyl)methyl]amino}-5-[(4-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-ethoxyphenyl)methyl]amino}-5-[(4-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-ethoxyphenyl)methyl]amino}-5-[(4-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0528 |
| Compound Name: | 2-{[(4-ethoxyphenyl)methyl]amino}-5-[(4-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C21 H21 F N6 O2 |
| Smiles: | CCOc1ccc(CNc2nc3NC(CNc4ccc(cc4)F)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0855 |
| logD: | 2.7997 |
| logSw: | -3.3868 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.339 |
| InChI Key: | NXRGREDVMVSFHY-UHFFFAOYSA-N |