855715-24-1
Product Name:
3-[6-(chloromethyl)-3-methyl-4-oxo-1H,4H,7H-pyrazolo[3,4-b]pyridin-1-yl]-1lambda6-thiolane-1,1-dione
Formula:
C12H14ClN3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 315.78 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 315.0444402 g/mol |
| Monoisotopic Mass | 315.0444402 g/mol |
| Topological Polar Surface Area | 89.4 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 557 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |