145237-25-8
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 |