ethyl (2-{[(2,5-dimethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Chemical Structure Depiction of
ethyl (2-{[(2,5-dimethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
ethyl (2-{[(2,5-dimethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Compound characteristics
| Compound ID: | D298-0295 |
| Compound Name: | ethyl (2-{[(2,5-dimethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C18 H21 N5 O5 |
| Smiles: | CCOC(CC1=CC(n2c(N1)nc(NCc1cc(ccc1OC)OC)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6101 |
| logD: | 1.2319 |
| logSw: | -2.2223 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.314 |
| InChI Key: | DBHMUASGUIEBLB-UHFFFAOYSA-N |