477867-68-8
Product Name:
N-[1-(TERT-BUTYL)-3-(4-METHYLPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-4-CHLOROBENZENESULFONAMIDE
Formula:
C22H22ClN5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.0 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 455.1182738 g/mol |
| Monoisotopic Mass | 455.1182738 g/mol |
| Topological Polar Surface Area | 98.2 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 708 |
| 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 |