4-(2-nitro-4-heptadecyloxycarbonylphenylazo)-N-methyl-N-(2-[hydroxycarbonyl]ethyl)aniline

HCID 19823948

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

Related reactions

3 records

Compound notes

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