78721-06-9
Product Name:
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-((2-hydro xyethyl)methylamino)propyl)-8-((phenylmethyl)amino)-, monohydrochlorid e
Formula:
C20H29ClN6O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 452.1938811 g/mol |
| Monoisotopic Mass | 452.1938811 g/mol |
| Topological Polar Surface Area | 114 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 602 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |