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692732-83-5

692732-83-5 structural image
Product Name: N-(1,3-BENZODIOXOL-5-YL)-N'-(2-CYANO-4,5-DIMETHOXYPHENYL)THIOUREA
Formula: C17H15N3O4S
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COMPUTED DESCRIPTORS

Molecular Weight 357.4 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 357.07832714 g/mol
Monoisotopic Mass 357.07832714 g/mol
Topological Polar Surface Area 117 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 525
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