54118-11-5
Product Name:
3-Ethyl-2-[(3-([1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene]methyl)-2-cyclohexen-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide
Formula:
C30H29IN2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 608.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 608.08169 g/mol |
| Monoisotopic Mass | 608.08169 g/mol |
| Topological Polar Surface Area | 60.7 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 832 |
| 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 |