850827-00-8
Product Name:
8-(4-benzylpiperidin-1-yl)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione
Formula:
C25H26FN5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 447.5 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 447.20705325 g/mol |
| Monoisotopic Mass | 447.20705325 g/mol |
| Topological Polar Surface Area | 70.5 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 701 |
| 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 |