methyl (2-{[(3,5-difluorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Chemical Structure Depiction of
methyl (2-{[(3,5-difluorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
methyl (2-{[(3,5-difluorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Compound characteristics
| Compound ID: | D298-0389 |
| Compound Name: | methyl (2-{[(3,5-difluorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate |
| Molecular Weight: | 349.29 |
| Molecular Formula: | C15 H13 F2 N5 O3 |
| Smiles: | COC(CC1=CC(n2c(N1)nc(NCc1cc(cc(c1)F)F)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4904 |
| logD: | 1.1122 |
| logSw: | -2.1838 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.56 |
| InChI Key: | NNXRLSBDZBITRT-UHFFFAOYSA-N |