Basic information
- CAS
73819-58-6- Standard SMILES
N=C(N)c1ccc(NN=Nc2ccc(-c3cc4cc(C(=N)N)ccc4o3)cc2)cc1- InChIKey
DDTJTOJPCGMKBA-UHFFFAOYSA-N- Molecular formula
- C22H19N7O
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.16510826
Names & identifiers
- Preferred name
- 5-Benzofurancarboximidamide, 2-(4-(3-(4-(aminoiminomethyl)phenyl)-1-triazenyl)phenyl)-
- IUPAC
- 2-[4-[(4-carbamimidoylanilino)diazenyl]phenyl]-1-benzofuran-5-carboximidamide
Names & synonyms
5-Benzofurancarboximidamide, 2-(4-(3-(4-(aminoiminomethyl)phenyl)-1-triazenyl)phenyl)-73819-58-62-(4-(3-(4-(Aminoiminomethyl)phenyl)-1-triazenyl)phenyl)-5-benzofurancarboximidamideCHEMBL352986DTXSID802242672-[4-[(E)-(4-carbamimidoylanilino)azo]phenyl]benzofuran-5-carboxamidine2-{4-[(1E)-3-(4-Carbamimidoylphenyl)triaz-1-en-1-yl]phenyl}-1-benzofuran-5-carboximidamide5-Benzofurancarboximidamide, 2-[4-[(1E)-3-[4-(aminoiminomethyl)phenyl]-1-triazenyl]phenyl]-
Database identifiers
- CAS
73819-58-6- PubChem CID
- 52609
- DTXSID
DTXSID80224267- ChEMBL
CHEMBL352986
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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