714923-84-9
Product Name:
2,4-dimethyl-7-(4-nitrophenyl)-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione
Formula:
C21H17N7O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 431.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 431.13420205 g/mol |
| Monoisotopic Mass | 431.13420205 g/mol |
| Topological Polar Surface Area | 122 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 768 |
| 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 |