HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethylideneamino)acetamide
2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N'-(2-furylmethylene)acetohydrazide
![2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethylideneamino)acetamide molecular structure](/img/chemical/178855152.png)
Identifiers & Physical Properties
| CAS No. | 445420-88-2 |
|---|---|
| Molecular formula | C14H14N6O2S |
| Average molar mass | 330.37 g/mol |
| SMILES | Cc1cc(C)n2nc(SCC(=O)NN=Cc3ccco3)nc2n1 |
| InChIKey | FJQALZNQZDVBEA-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 123 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 5 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 451 |
| Melting point | 190-192 °C |
| Density | 1.479±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 11.423±0.46(predicted) |