HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
![6-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole molecular structure](/img/chemical/178934026.png)
Identifiers & Physical Properties
| CAS No. | 876712-25-3 |
|---|---|
| Molecular formula | C20H18N4O5S |
| Average molar mass | 426.4 g/mol |
| SMILES | COc1cc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc(OC)c1OC |
| InChIKey | ROMQBGFJRLJPMF-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 117 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 5 |
| Heavy atoms | 30 |
| Formal charge | 0 |
| Complexity | 577 |