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859667-22-4

859667-22-4 structural image
Product Name: 9,10-dimethoxy-2-(4-phenylmethoxyphenoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Formula: C27H24N2O5
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COMPUTED DESCRIPTORS

Molecular Weight 456.5 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 456.16852187 g/mol
Monoisotopic Mass 456.16852187 g/mol
Topological Polar Surface Area 69.6 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 769
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