KFM19

Chemical Information
a potential cognitive enhancer and a selective adenosine A1 receptor antagonist
| CAS Number | 133058-72-7 |
| PubChem CID | 131584 |
| IUPAC Name | 8-(3-oxocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione |
| Molecular Formula | C16H22N4O3 |
| Molecular Weight | 318.37 |
| XLogP | 2.2 |
| Topological Polar Surface Area | 86.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 510 |
| Property | Value |
|---|---|
| Molecular Weight | 318.37 |
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 318.16919058 |
| Monoisotopic Mass | 318.16919058 |
| Topological Polar Surface Area | 86.4 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 510 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |
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