306733-05-1
Product Name:
(E)-7-(but-2-en-1-yl)-8-(isobutylthio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Formula:
C14H20N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 308.40 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 308.13069707 g/mol |
| Monoisotopic Mass | 308.13069707 g/mol |
| Topological Polar Surface Area | 92.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 441 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |