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353469-64-4

353469-64-4 structural image
Product Name: 4-[4-(allyloxy)phenyl]-2-amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula: C27H26BrN3O2
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COMPUTED DESCRIPTORS

Molecular Weight 504.4 g/mol
XLogP3 5.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 503.12084 g/mol
Monoisotopic Mass 503.12084 g/mol
Topological Polar Surface Area 79.4 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 896
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