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863458-77-9

863458-77-9 structural image
Product Name: N-(4-acetylphenyl)-2-((3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamide
Formula: C21H17FN6O2S
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COMPUTED DESCRIPTORS

Molecular Weight 436.5 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 7
Exact Mass 436.11177314 g/mol
Monoisotopic Mass 436.11177314 g/mol
Topological Polar Surface Area 128 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 635
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