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303101-83-9

303101-83-9 structural image
Product Name: 2-(4-ETHOXYPHENYL)-4,4,8-TRIMETHYL-4,5-DIHYDROISOTHIAZOLO[5,4-C]QUINOLINE-1(2H)-THIONE
Formula: C21H22N2OS2
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COMPUTED DESCRIPTORS

Molecular Weight 382.5 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 382.11735568 g/mol
Monoisotopic Mass 382.11735568 g/mol
Topological Polar Surface Area 81.9 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 595
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