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6410-26-0 molecular structure
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4-[2-(2-chlorophenyl)diazen-1-yl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

ChemBase ID: 798198
Molecular Formular: C23H16ClN3O2
Molecular Mass: 401.84504
Monoisotopic Mass: 401.09310445
SMILES and InChIs

SMILES:
c1cc2c(cc1)c(c(c(c2)C(=O)Nc1ccccc1)O)N=Nc1c(cccc1)Cl
Canonical SMILES:
O=C(c1cc2ccccc2c(c1O)N=Nc1ccccc1Cl)Nc1ccccc1
InChI:
InChI=1S/C23H16ClN3O2/c24-19-12-6-7-13-20(19)26-27-21-17-11-5-4-8-15(17)14-18(22(21)28)23(29)25-16-9-2-1-3-10-16/h1-14,28H,(H,25,29)
InChIKey:
XNANGTRPTFPPPE-UHFFFAOYSA-N

Cite this record

CBID:798198 http://www.chembase.cn/molecule-798198.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(2-chlorophenyl)diazen-1-yl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
IUPAC Traditional name
4-[2-(2-chlorophenyl)diazen-1-yl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
Synonyms
4-((2-chlorophenyl)azo)-3-hydroxy-n-phenyl-2-Naphthalenecarboxamide
CAS Number
6410-26-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10596 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10596 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.356316  H Acceptors
H Donor LogD (pH = 5.5) 6.7609744 
LogD (pH = 7.4) 6.7605057  Log P 6.7609806 
Molar Refractivity 119.1464 cm3 Polarizability 44.182125 Å3
Polar Surface Area 74.05 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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