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100447-54-9

100447-54-9 structural image
Product Name: 1,4-BENZODIOXAN-2-CARBOXAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-3-PHENYL-, (E )-
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COMPUTED DESCRIPTORS

Molecular Weight 354.4 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 354.19434270 g/mol
Monoisotopic Mass 354.19434270 g/mol
Topological Polar Surface Area 50.8 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 435
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes