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685108-21-8

685108-21-8 structural image
Product Name: 4-[2,3-DIMETHOXY-8-OXO-5,8,12,12A-TETRAHYDROPYRAZOLO[3',4':4,5]PYRIDO[2,1-A]ISOQUINOLIN-11(6H)-YL]BENZENECARBONITRILE
Formula: C23H20N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 400.4 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 400.15354051 g/mol
Monoisotopic Mass 400.15354051 g/mol
Topological Polar Surface Area 80.4 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 700
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes