ethyl (2-{[(4-fluorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Chemical Structure Depiction of
ethyl (2-{[(4-fluorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
ethyl (2-{[(4-fluorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Compound characteristics
| Compound ID: | D298-0034 |
| Compound Name: | ethyl (2-{[(4-fluorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate |
| Molecular Weight: | 345.33 |
| Molecular Formula: | C16 H16 F N5 O3 |
| Smiles: | CCOC(CC1=CC(n2c(N1)nc(NCc1ccc(cc1)F)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4391 |
| logD: | 1.0609 |
| logSw: | -2.1516 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.14 |
| InChI Key: | DFLQEFDSPWCEGX-UHFFFAOYSA-N |