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496772-38-4

496772-38-4 structural image
Product Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula: C23H22N6O4
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COMPUTED DESCRIPTORS

Molecular Weight 446.5 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 446.17025320 g/mol
Monoisotopic Mass 446.17025320 g/mol
Topological Polar Surface Area 109 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 755
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes