5-[(2-fluoroanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2-fluoroanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2-fluoroanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0279 |
| Compound Name: | 5-[(2-fluoroanilino)methyl]-2-{[(4-fluorophenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 382.37 |
| Molecular Formula: | C19 H16 F2 N6 O |
| Smiles: | C(C1=CC(n2c(N1)nc(NCc1ccc(cc1)F)n2)=O)Nc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 2.7488 |
| logD: | 2.463 |
| logSw: | -3.1674 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.518 |
| InChI Key: | BSNWYQKCYYQBCS-UHFFFAOYSA-N |