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847191-71-3

847191-71-3 structural image
Product Name: N-(4-bromophenyl)-2-((6,8-dimethyl-5,7-dioxo-2-(thiophen-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)acetamide
Formula: C20H16BrN5O3S2
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COMPUTED DESCRIPTORS

Molecular Weight 518.4 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 516.98779 g/mol
Monoisotopic Mass 516.98779 g/mol
Topological Polar Surface Area 149 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 708
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