478247-59-5
Product Name:
Methyl 2-([6-(methylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl)benzenecarboxylate
Formula:
C20H16N4O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 408.5 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 408.07146811 g/mol |
| Monoisotopic Mass | 408.07146811 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 534 |
| 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 |