478247-56-2
Product Name:
6-(METHYLSULFANYL)-1-PHENYL-4-([3-(TRIFLUOROMETHYL)PHENYL]SULFANYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
Formula:
C19H13F3N4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.5 g/mol |
|---|---|
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 418.05337326 g/mol |
| Monoisotopic Mass | 418.05337326 g/mol |
| Topological Polar Surface Area | 94.2 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 518 |
| 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 |