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81409-76-9

81409-76-9 structural image
Product Name: (8-beta)-N-(1-Methylethyl)-N-(((1-methylethyl)amino)carbonyl)-6-propyl ergoline-8-carboxamide
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COMPUTED DESCRIPTORS

Molecular Weight 424.6 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 424.28382640 g/mol
Monoisotopic Mass 424.28382640 g/mol
Topological Polar Surface Area 68.4 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 666
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes