methyl (2-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Chemical Structure Depiction of
methyl (2-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
methyl (2-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Compound characteristics
| Compound ID: | D043-0305 |
| Compound Name: | methyl (2-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate |
| Molecular Weight: | 312.33 |
| Molecular Formula: | C16 H16 N4 O3 |
| Smiles: | CC1=C(CC(=O)OC)C(n2c(N1)nc(Cc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6324 |
| logD: | 1.1012 |
| logSw: | -1.7351 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.821 |
| InChI Key: | FRIQXGXOWZEMTH-UHFFFAOYSA-N |