851943-30-1
Product Name:
1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-7-(2-phenylethyl)purine-2,6-dione
Formula:
C22H29N5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 395.5 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 395.23212518 g/mol |
| Monoisotopic Mass | 395.23212518 g/mol |
| Topological Polar Surface Area | 61.7 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 608 |
| 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 |