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458529-20-9

458529-20-9 structural image
Product Name: N-(adamantan-1-yl)-5-(1,2-dithiolan-3-yl)pentanamide
Formula: C18H29NOS2
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COMPUTED DESCRIPTORS

Molecular Weight 339.6 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 339.16905690 g/mol
Monoisotopic Mass 339.16905690 g/mol
Topological Polar Surface Area 79.7 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 384
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