359909-42-5
Product Name:
7-[(2,6-dichlorophenyl)methyl]-8-(4-hydroxybutan-2-ylamino)-1,3-dimethylpurine-2,6-dione
Formula:
C18H21Cl2N5O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 426.3 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 425.1021449 g/mol |
| Monoisotopic Mass | 425.1021449 g/mol |
| Topological Polar Surface Area | 90.7 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 588 |
| 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 |