64285-48-9
Product Name:
3-(2-[(3-([3-Ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonate
Formula:
C29H32N2O3S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 552.8 g/mol |
|---|---|
| XLogP3 | 6.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 552.15750641 g/mol |
| Monoisotopic Mass | 552.15750641 g/mol |
| Topological Polar Surface Area | 126 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 1020 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |