886910-25-4
Product Name:
3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-(2-phenylethyl)purine-2,6-dione
Formula:
C26H30N6O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 458.6 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 458.24302422 g/mol |
| Monoisotopic Mass | 458.24302422 g/mol |
| Topological Polar Surface Area | 73.7 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 720 |
| 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 |