878452-45-0
Product Name:
8-(4-ethylpiperazin-1-yl)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione
Formula:
C21H28N6O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 396.5 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 396.22737416 g/mol |
| Monoisotopic Mass | 396.22737416 g/mol |
| Topological Polar Surface Area | 64.9 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 614 |
| 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 |