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469891-22-3

469891-22-3 structural image
Product Name: 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-[4-(hexyloxy)phenyl]pyrrolidine-2,5-dione
Formula: C26H34N2O5
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COMPUTED DESCRIPTORS

Molecular Weight 454.6 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 13
Exact Mass 454.24677219 g/mol
Monoisotopic Mass 454.24677219 g/mol
Topological Polar Surface Area 77.1 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 608
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