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311777-77-2

311777-77-2 structural image
Product Name: 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula: C27H28ClN3O4
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COMPUTED DESCRIPTORS

Molecular Weight 494.0 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 493.1768341 g/mol
Monoisotopic Mass 493.1768341 g/mol
Topological Polar Surface Area 97.8 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 929
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