HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]quinoline
2-[6-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]quinoline · Quinoline, 2-[6-(4-chlorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-
![2-[6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]quinoline molecular structure](/img/chemical/178913402.png)
Identifiers & Physical Properties
| CAS No. | 951941-46-1 |
|---|---|
| Molecular formula | C18H10ClN5S |
| Average molar mass | 363.8 g/mol |
| SMILES | Clc1ccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 |
| InChIKey | RNIKTROQLSGLPA-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.5 |
|---|---|
| Topological polar surface area | 84.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 474 |
| Density | 1.56±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 0.43±0.61(Predicted) |