2-{[(4-fluorophenyl)methyl]amino}-5-[(2-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-fluorophenyl)methyl]amino}-5-[(2-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-fluorophenyl)methyl]amino}-5-[(2-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0297 |
| Compound Name: | 2-{[(4-fluorophenyl)methyl]amino}-5-[(2-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 378.41 |
| Molecular Formula: | C20 H19 F N6 O |
| Smiles: | Cc1ccccc1NCC1=CC(n2c(N1)nc(NCc1ccc(cc1)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.809 |
| logD: | 2.5232 |
| logSw: | -3.1862 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.518 |
| InChI Key: | NECJYIPKBKFYAW-UHFFFAOYSA-N |