HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-ethyl-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
4-(3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenyl methyl ether
![3-ethyl-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine molecular structure](/img/chemical/178819819.png)
Identifiers & Physical Properties
| CAS No. | 68469-01-2 |
|---|---|
| Molecular formula | C13H14N4OS |
| Average molar mass | 274.34 g/mol |
| SMILES | CCc1nnc2n1N=C(c1ccc(OC)cc1)CS2 |
| InChIKey | WWJNOIHSOVGFHS-UHFFFAOYSA-N |
| ChEMBL | CHEMBL1496746 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 77.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 344 |