478081-03-7
Product Name:
METHYL 3-([6-(METHYLSULFANYL)-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]OXY)-2-THIOPHENECARBOXYLATE
Formula:
C18H14N4O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 398.5 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 398.05073267 g/mol |
| Monoisotopic Mass | 398.05073267 g/mol |
| Topological Polar Surface Area | 133 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 523 |
| 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 |