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1010904-53-6

1010904-53-6 structural image
Product Name: ethyl 4,5-dimethyl-2-(3-phenyl-5,6-dihydro-1,4-oxathiine-2-carboxamido)thiophene-3-carboxylate
Formula: C20H21NO4S2
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COMPUTED DESCRIPTORS

Molecular Weight 403.5 g/mol
XLogP3 5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 403.09120050 g/mol
Monoisotopic Mass 403.09120050 g/mol
Topological Polar Surface Area 118 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 589
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