methyl (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
methyl (2-{[(2,5-dimethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
methyl (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: | D298-0292 |
| Compound Name: | methyl (2-{[(2,5-dimethoxyphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C17 H19 N5 O5 |
| Smiles: | COC(CC1=CC(n2c(N1)nc(NCc1cc(ccc1OC)OC)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1574 |
| logD: | 0.7793 |
| logSw: | -2.0949 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.734 |
| InChI Key: | GJERMXKLRLMEKP-UHFFFAOYSA-N |