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1260606-50-5

1260606-50-5 structural image
Product Name: (3R,4R)-Ethyl 3-(3-bromo-4-fluorophenyl)-1-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylate
Formula: C21H21BrFNO3
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COMPUTED DESCRIPTORS

Molecular Weight 434.3 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 433.06888 g/mol
Monoisotopic Mass 433.06888 g/mol
Topological Polar Surface Area 46.6 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 546
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