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54444-09-6

54444-09-6 structural image
Product Name: 3(2H)-BENZOTHIAZOLEPROPANESULFONIC ACID, 2-[4-(1,3-DIBUTYLTETRAHYDRO-4,6-DIOXO-2-THIOXO-5(2H)-PYRIMIDINYLIDENE)-2-BUTENYLIDENE]-, SODIUM SALT (1:1)
Formula: C26H32N3O5S3-
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COMPUTED DESCRIPTORS

Molecular Weight 585.7 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 12
Exact Mass 585.14017893 g/mol
Monoisotopic Mass 585.14017893 g/mol
Topological Polar Surface Area 167 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 1020
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes