Propanoic acid,3-[[[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl][[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]-, sodium salt, (E)-


Chemical Name: Propanoic acid,3-[[[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl][[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]-, sodium salt, (E)-
CAS Number: 115103-85-0
Product Number: AG000GAW(AGN-PC-0P752H)
Synonyms:
MDL No: MFCD11114392
Molecular Formula: C26H26ClN2NaO3S2
Molecular Weight: 537.0690

Identification/Properties


Computed Properties
Molecular Weight:
537.065g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
11
Exact Mass:
536.097g/mol
Monoisotopic Mass:
536.097g/mol
Topological Polar Surface Area:
124A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
700
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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