27930-82-1
Product Name:
2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT
Formula:
C21H31N3O4S4
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COMPUTED DESCRIPTORS
| Molecular Weight | 517.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 517.11974117 g/mol |
| Monoisotopic Mass | 517.11974117 g/mol |
| Topological Polar Surface Area | 172 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 727 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |