methyl (5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Chemical Structure Depiction of
methyl (5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
methyl (5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Compound characteristics
| Compound ID: | D043-0306 |
| Compound Name: | methyl (5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate |
| Molecular Weight: | 298.3 |
| Molecular Formula: | C15 H14 N4 O3 |
| Smiles: | CC1=C(CC(=O)OC)C(n2c(N1)nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.832 |
| logD: | 1.8196 |
| logSw: | -2.1743 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.83 |
| InChI Key: | KANQRNLIOWJWJG-UHFFFAOYSA-N |