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459154-23-5

459154-23-5 structural image
Product Name: 6-amino-2-isopropyl-8-(2-methoxy-1-naphthyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Formula: C26H25N5O
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COMPUTED DESCRIPTORS

Molecular Weight 423.5 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 423.20591044 g/mol
Monoisotopic Mass 423.20591044 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 950
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes