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391229-25-7

391229-25-7 structural image
Product Name: (3r,5r,7r)-N-((2-((3r,5r,7r)-adamantan-1-yl)ethyl)carbamothioyl)adamantane-1-carboxamide
Formula: C24H36N2OS
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COMPUTED DESCRIPTORS

Molecular Weight 400.6 g/mol
XLogP3 6.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 400.25483495 g/mol
Monoisotopic Mass 400.25483495 g/mol
Topological Polar Surface Area 73.2 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 604
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes