335403-88-8
Product Name:
8-{[2-(diethylamino)ethyl]amino}-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Formula:
C23H34N6O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 458.6 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 458.26415359 g/mol |
| Monoisotopic Mass | 458.26415359 g/mol |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 640 |
| 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 |