HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[[5-[(3-chloro-4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
2-({5-[(3-chloro-4-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
![2-[[5-[(3-chloro-4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide molecular structure](/img/chemical/178817543.png)
Identifiers & Physical Properties
| CAS No. | 338428-08-3 |
|---|---|
| Molecular formula | C22H22ClN7OS2 |
| Average molar mass | 500 g/mol |
| SMILES | CCc1nnc(NC(=O)CSc2nnc(CNc3ccc(C)c(Cl)c3)n2-c2ccccc2)s1 |
| InChIKey | ILUNUHSSSHYQGK-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.9 |
|---|---|
| Topological polar surface area | 151 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 9 |
| Heavy atoms | 33 |
| Formal charge | 0 |
| Complexity | 630 |