HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethylideneamino)acetamide
2-{[4-allyl-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(2-furylmethylene)acetohydrazide · Acetic acid, 2-[[5-(1H-benzotriazol-1-ylmethyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-(2-furanylmethylene)hydrazide
![2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethylideneamino)acetamide molecular structure](/img/chemical/178819872.png)
Identifiers & Physical Properties
| CAS No. | 514219-88-6 |
|---|---|
| Molecular formula | C19H18N8O2S |
| Average molar mass | 422.5 g/mol |
| SMILES | C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccco1 |
| InChIKey | MPZJDBPCWVNSKW-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 141 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 9 |
| Heavy atoms | 30 |
| Formal charge | 0 |
| Complexity | 623 |
| Density | 1.44±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 11.60±0.46(Predicted) |