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639057-56-0

639057-56-0 structural image
Product Name: N-[(4-methoxyphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Formula: C17H16N2O4S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 2.1 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 344.4 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 344.08307817 g/mol
Monoisotopic Mass 344.08307817 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 454
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