895023-52-6
Product Name:
5H-Pyrazolo[3,4-d]pyrimidine-5-acetamide, 1-(2,3-dimethylphenyl)-1,4-dihydro-4-oxo-N-[3-(trifluoromethyl)phenyl]-
Formula:
C22H18F3N5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 441.4 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 441.14125932 g/mol |
| Monoisotopic Mass | 441.14125932 g/mol |
| Topological Polar Surface Area | 79.6 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 746 |
| 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 |