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311765-27-2

311765-27-2 structural image
Product Name: 2-amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula: C23H19BrF3N3OS
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COMPUTED DESCRIPTORS

Molecular Weight 522.4 g/mol
XLogP3 6.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 2
Exact Mass 521.03843 g/mol
Monoisotopic Mass 521.03843 g/mol
Topological Polar Surface Area 98.4 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 919
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