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339335-27-2

339335-27-2 structural image
Product Name: 2-amino-1-(4-bromophenyl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula: C23H20BrN3OS
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COMPUTED DESCRIPTORS

Molecular Weight 466.4 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 465.05105 g/mol
Monoisotopic Mass 465.05105 g/mol
Topological Polar Surface Area 95.4 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 766
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