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71089-74-2

71089-74-2 structural image
Product Name: 1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane
Formula: C38H48N4O8S4
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COMPUTED DESCRIPTORS

Molecular Weight 817.1 g/mol
XLogP3 5.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 8
Exact Mass 816.23549920 g/mol
Monoisotopic Mass 816.23549920 g/mol
Topological Polar Surface Area 183 Ų
Heavy Atom Count 54
Formal Charge 0
Complexity 1360
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