370074-96-7
Product Name:
1-(4-bromobenzyl)-8-[(3-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Formula:
C17H20BrN5O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 422.3 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 421.07495 g/mol |
| Monoisotopic Mass | 421.07495 g/mol |
| Topological Polar Surface Area | 90.7 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 529 |
| 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 |