N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide


Chemical Name: N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CAS Number: 956958-53-5
Product Number: AG00IJCR(AGN-PC-0KA2AA)
Synonyms:
MDL No:
Molecular Formula: C21H16N6O2S2
Molecular Weight: 448.5207

Identification/Properties


Computed Properties
Molecular Weight:
448.519g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
5
Exact Mass:
448.078g/mol
Monoisotopic Mass:
448.078g/mol
Topological Polar Surface Area:
146A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
711
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

Safety Information


NMR Spectrum


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