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311764-52-0

311764-52-0 structural image
Product Name: 2-amino-1-(4-bromophenyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula: C25H24BrN3O4
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COMPUTED DESCRIPTORS

Molecular Weight 510.4 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 509.09502 g/mol
Monoisotopic Mass 509.09502 g/mol
Topological Polar Surface Area 97.8 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 856
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