4-[(5,5-dimethyl-8-quinolin-3-yl-6H-naphthalene-2-carbonyl)amino]benzoic acid


Chemical Name: 4-[(5,5-dimethyl-8-quinolin-3-yl-6H-naphthalene-2-carbonyl)amino]benzoic acid
CAS Number: 253310-42-8
Product Number: AG00BJR9(AGN-PC-0JRBMJ)
Synonyms:
MDL No: MFCD00952209
Molecular Formula: C29H24N2O3
Molecular Weight: 448.51246

Identification/Properties


Computed Properties
Molecular Weight:
448.522g/mol
XLogP3:
5.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
448.179g/mol
Monoisotopic Mass:
448.179g/mol
Topological Polar Surface Area:
79.3A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
797
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



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