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846592-05-0

846592-05-0 structural image
Product Name: (E)-3-((4-hydroxy-3,5-dimethoxybenzylidene)amino)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
Formula: C20H18N4O5
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COMPUTED DESCRIPTORS

Molecular Weight 394.4 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 394.12771969 g/mol
Monoisotopic Mass 394.12771969 g/mol
Topological Polar Surface Area 109 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 645
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