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861122-91-0

861122-91-0 structural image
Product Name: 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
Formula: C21H17BrN4O2S
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COMPUTED DESCRIPTORS

Molecular Weight 469.4 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 468.02556 g/mol
Monoisotopic Mass 468.02556 g/mol
Topological Polar Surface Area 105 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 543
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