20749-81-9
Product Name:
3-Ethyl-2-([7-([3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene]methyl)-4,4a,5,6-tetrahydro-2(3H)-naphthalenylidene]methyl)-6-methyl-1,3-benzothiazol-3-ium iodide
Formula:
C32H36IN2S2+
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COMPUTED DESCRIPTORS
| Molecular Weight | 638.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 638.12864 g/mol |
| Monoisotopic Mass | 638.12864 g/mol |
| Topological Polar Surface Area | 60.7 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 877 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |