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506409-22-9

506409-22-9 structural image
Product Name: 1-[PHENYL(3,4,5-TRIMETHOXYPHENYL)METHYL]-1,4-DIAZEPANE
Formula: C21H28N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 356.5 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 356.20999276 g/mol
Monoisotopic Mass 356.20999276 g/mol
Topological Polar Surface Area 43 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 389
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