6-benzyl-2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0626 |
| Compound Name: | 6-benzyl-2-{[(3,5-difluorophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 381.38 |
| Molecular Formula: | C20 H17 F2 N5 O |
| Smiles: | CC1=C(Cc2ccccc2)C(n2c(N1)nc(NCc1cc(cc(c1)F)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8239 |
| logD: | 3.8124 |
| logSw: | -4.0114 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.62 |
| InChI Key: | RMYAOSKCIVXABY-UHFFFAOYSA-N |