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4-((4-(Benzoylamino)-2-methoxy-5-methylphenyl)azo)-N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide

HCID 3018852
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Basic information

CAS
79665-29-5
Standard SMILES
COc1cc(NC(=O)c2ccccc2)c(C)cc1N=Nc1c(O)c(C(=O)Nc2ccc(Cl)cc2)cc2ccccc12
InChIKey
JTOWFLLZNQATAY-UHFFFAOYSA-N
Molecular formula
C32H25ClN4O4
Average molar mass
565 g/mol
Monoisotopic mass
564.156433

Names & identifiers

Preferred name
4-((4-(Benzoylamino)-2-methoxy-5-methylphenyl)azo)-N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
IUPAC
4-[(4-benzamido-2-methoxy-5-methylphenyl)diazenyl]-N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide

Names & synonyms

79665-29-5EINECS 279-216-44-((4-(Benzoylamino)-2-methoxy-5-methylphenyl)azo)-N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamideSCHEMBL12760899SCHEMBL12760900DTXSID801107956NS000606744-[2-[4-(Benzoylamino)-2-methoxy-5-methylphenyl]diazenyl]-N-(4-chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide

Database identifiers

CAS
79665-29-5
PubChem CID
3018852
DTXSID
DTXSID801107956
EC Number
279-216-4
Nikkaji
J34.061H

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
112 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
41
Formal charge
0
Complexity
906

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