Basic information
- CAS
354542-45-3- Standard SMILES
COc1ccc(C=NNC(=O)C(C)n2nnc3ccccc32)cc1OC- InChIKey
VWRKPUAXYXGVHK-UHFFFAOYSA-N- Molecular formula
- C18H19N5O3
- Average molar mass
- 353.4 g/mol
Names & identifiers
- Preferred name
- 2-(benzotriazol-1-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]propanamide
- IUPAC
- 2-(benzotriazol-1-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]propanamide
- English name
- 2-(1H-1,2,3-benzotriazol-1-yl)-N'-(3,4-dimethoxybenzylidene)propanohydrazide
- Molecular formula
- C18H19N5O3
- Molecular weight
- 353.38
Names & synonyms
HMS2283H102-(1H-1,2,3-benzotriazol-1-yl)-N'-(3,4-dimethoxybenzylidene)propanohydrazide
Database identifiers
- CAS
354542-45-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Density
- 1.289 · 1.289±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.86 · 11.860±0.46(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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