54444-09-6
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 |