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312267-19-9

312267-19-9 structural image
Product Name: 2-amino-1-(4-bromophenyl)-4-[4-(diethylamino)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula: C26H27BrN4O
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COMPUTED DESCRIPTORS

Molecular Weight 491.4 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 490.13682 g/mol
Monoisotopic Mass 490.13682 g/mol
Topological Polar Surface Area 73.4 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 820
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