477859-18-0
Product Name:
N-[1-(TERT-BUTYL)-3-(4-METHYLPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-2-CHLOROBENZENECARBOXAMIDE
Formula:
C23H22ClN5O
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COMPUTED DESCRIPTORS
| Molecular Weight | 419.9 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 419.1512880 g/mol |
| Monoisotopic Mass | 419.1512880 g/mol |
| Topological Polar Surface Area | 72.7 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 603 |
| 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 |