methyl (2-{[(4-ethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Chemical Structure Depiction of
methyl (2-{[(4-ethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
methyl (2-{[(4-ethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Compound characteristics
| Compound ID: | D298-0026 |
| Compound Name: | methyl (2-{[(4-ethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate |
| Molecular Weight: | 357.37 |
| Molecular Formula: | C17 H19 N5 O4 |
| Smiles: | CCOc1ccc(CNc2nc3NC(CC(=O)OC)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3263 |
| logD: | 0.9482 |
| logSw: | -2.1206 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.683 |
| InChI Key: | LDZBMVUAPMSHEP-UHFFFAOYSA-N |