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145237-25-8

145237-25-8 structural image
Product Name: O,O''-BIS[2-(METHYLTHIO)ETHYL]-TERT-BUTYLCALIX[4]ARENE
Formula: C50H68O4S2
Synonyms: O,O″-Bis[2-(methylthio)ethyl]-tert-butylcalix[4]arene
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COMPUTED DESCRIPTORS

Molecular Weight 797.2 g/mol
XLogP3 14.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 12
Exact Mass 796.45590299 g/mol
Monoisotopic Mass 796.45590299 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 56
Formal Charge 0
Complexity 1050
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