333768-87-9
Product Name:
7-[(E)-but-2-enyl]-3-methyl-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione
Formula:
C14H18N4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 322.39 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 322.10996162 g/mol |
| Monoisotopic Mass | 322.10996162 g/mol |
| Topological Polar Surface Area | 110 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 510 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |