359710-05-7
Product Name:
7-[(3-bromophenyl)methyl]-8-(2,5-dimethylphenoxy)-1,3-dimethylpurine-2,6-dione
Formula:
C22H21BrN4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 469.3 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 468.07970 g/mol |
| Monoisotopic Mass | 468.07970 g/mol |
| Topological Polar Surface Area | 67.7 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 664 |
| 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 |