59170-49-9
Product Name:
3-Ethyl-2-((E)-2-[5-((Z)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene)-2H-pyran-3(6H)-yl]ethenyl)-1,3-benzothiazol-3-ium iodide
Formula:
C27H27IN2OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 586.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 586.06095 g/mol |
| Monoisotopic Mass | 586.06095 g/mol |
| Topological Polar Surface Area | 69.9 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 729 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |