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852372-57-7

852372-57-7 structural image
Product Name: N-(3,4-dimethoxyphenyl)-2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
Formula: C21H19N5O3S
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COMPUTED DESCRIPTORS

Molecular Weight 421.5 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 7
Exact Mass 421.12086066 g/mol
Monoisotopic Mass 421.12086066 g/mol
Topological Polar Surface Area 116 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 565
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