Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCOC(=O)c1ccc(N=Nc2ccc(N(C)CCC(=O)O)cc2)c([N+](=O)[O-])c1- InChIKey
ADGGTEKLNMCFCX-UHFFFAOYSA-N- Molecular formula
- C34H50N4O6
- Average molar mass
- 610.8 g/mol
- Monoisotopic mass
- 610.37303533
Names & identifiers
- Preferred name
- 4-(2-nitro-4-heptadecyloxycarbonylphenylazo)-N-methyl-N-(2-[hydroxycarbonyl]ethyl)aniline
- IUPAC
- 3-[4-[(4-heptadecoxycarbonyl-2-nitrophenyl)diazenyl]-N-methylanilino]propanoic acid
Names & synonyms
SCHEMBL9788522SCHEMBL9788525ADGGTEKLNMCFCX-UHFFFAOYSA-N4-(2-nitro-4-[heptadecyloxycarbonyl]phenylazo)-N-methyl-N-(2-[hydroxycarbonyl]ethyl)aniline4-(2-nitro-4-heptadecyloxycarbonylphenylazo)-N-methyl-N-(2-[hydroxycarbonyl]ethyl)aniline
Database identifiers
- PubChem CID
- 19823948
Properties
Computed structural properties
- XLogP
- 11.3
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 24
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 827
Related reactions
3 records
Compound notes
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