2-(5-aminotetrazol-1-yl)-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
Basic information
- CAS
347410-43-9- Standard SMILES
COc1ccc(Br)cc1/C=N/NC(=O)Cn1nnnc1N- InChIKey
DEQAXFMNMOVBLA-LHHJGKSTSA-N- Molecular formula
- C11H12BrN7O2
- Average molar mass
- 354.16 g/mol
- Monoisotopic mass
- 353.02359
Names & identifiers
- Preferred name
- 2-(5-aminotetrazol-1-yl)-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
- IUPAC
- 2-(5-aminotetrazol-1-yl)-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
Names & synonyms
2-(5-amino-1H-tetrazol-1-yl)-N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]acetohydrazide2-(5-aminotetrazol-1-yl)-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide347410-43-9MLS000780211CHEMBL3207889DTXSID601328003STK539826AKOS005470009SMR000420394(E)-2-(5-amino-1H-tetrazol-1-yl)-N'-(5-bromo-2-methoxybenzylidene)acetohydrazide(5-Amino-tetrazol-1-yl)-acetic acid [1-(5-bromo-2-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
Database identifiers
- CAS
347410-43-9- PubChem CID
- 6884643
- DTXSID
DTXSID601328003- ChEMBL
CHEMBL3207889
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Experimental & physicochemical properties
Solubility8.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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