369603-86-1
Product Name:
8-(4-bromophenoxy)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Formula:
C20H16BrFN4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 459.3 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 458.03898 g/mol |
| Monoisotopic Mass | 458.03898 g/mol |
| Topological Polar Surface Area | 67.7 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 625 |
| 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 |