HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-(1-Benzofuran-2-yl)-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-(2-benzofuranyl)-3-phenyl- · 6-(1-benzofuran-2-yl)-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
![6-(1-Benzofuran-2-yl)-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole molecular structure](/img/chemical/178819840.png)
Identifiers & Physical Properties
| CAS No. | 708279-76-9 |
|---|---|
| Molecular formula | C17H10N4OS |
| Average molar mass | 318.4 g/mol |
| SMILES | c1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)cc1 |
| InChIKey | GVLSMMHOYGMDPM-UHFFFAOYSA-N |
| ChEMBL | CHEMBL1612686 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 84.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 433 |