benzenesulfonic acid;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide


Chemical Name: benzenesulfonic acid;N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
CAS Number: 939791-38-5
Product Number: AG00GU5G(AGN-PC-00U0FV)
Synonyms:
MDL No: MFCD16038299
Molecular Formula: C27H26F3N7O6S2
Molecular Weight: 665.6638

Identification/Properties


Computed Properties
Molecular Weight:
665.663g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
15
Rotatable Bond Count:
8
Exact Mass:
665.134g/mol
Monoisotopic Mass:
665.134g/mol
Topological Polar Surface Area:
200A^2
Heavy Atom Count:
45
Formal Charge:
0
Complexity:
1040
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:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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