370077-29-5
Product Name:
S,S'-(4-cyanoisothiazole-3,5-diyl) bis(3,4-dimethoxybenzothioate)
Formula:
C22H18N2O6S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 502.6 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 10 |
| Exact Mass | 502.03269982 g/mol |
| Monoisotopic Mass | 502.03269982 g/mol |
| Topological Polar Surface Area | 187 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 734 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |