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956940-86-6

956940-86-6 structural image
Product Name: (2R,3R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2-[7-oxo-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]heptyl]cyclopentan-1-one
Formula: C33H50N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 522.8 g/mol
XLogP3 6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 16
Exact Mass 522.38214346 g/mol
Monoisotopic Mass 522.38214346 g/mol
Topological Polar Surface Area 60.8 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 735
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes