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 |