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339339-73-0

339339-73-0 structural image
Product Name: 2-amino-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula: C25H25N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 415.5 g/mol
XLogP3 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 415.18959167 g/mol
Monoisotopic Mass 415.18959167 g/mol
Topological Polar Surface Area 88.6 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 792
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