313470-38-1
Product Name:
7-allyl-3-methyl-8-(phenethylthio)-3,7-dihydro-1H-purine-2,6-dione
Formula:
C17H18N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 342.4 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 342.11504700 g/mol |
| Monoisotopic Mass | 342.11504700 g/mol |
| Topological Polar Surface Area | 92.5 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 495 |
| 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 |