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81409-86-1

81409-86-1 structural image
Product Name: (8-beta)-N-Cyclohexyl-N-((cyclohexylamino)carbonyl)-6-(2-propenyl)ergo line-8-carboxamide
Formula: C31H42N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 502.7 g/mol
XLogP3 6.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 502.33077660 g/mol
Monoisotopic Mass 502.33077660 g/mol
Topological Polar Surface Area 68.4 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 835
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