HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(benzotriazol-1-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]propanamide
2-(1H-1,2,3-benzotriazol-1-yl)-N'-(3,4-dimethoxybenzylidene)propanohydrazide
![2-(benzotriazol-1-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]propanamide molecular structure](/img/chemical/178851663.png)
Identifiers & Physical Properties
| CAS No. | 354542-45-3 |
|---|---|
| Molecular formula | C18H19N5O3 |
| Average molar mass | 353.4 g/mol |
| SMILES | COc1ccc(C=NNC(=O)C(C)n2nnc3ccccc32)cc1OC |
| InChIKey | VWRKPUAXYXGVHK-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 90.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 6 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 503 |
| Density | 1.289±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 11.860±0.46(predicted) |