331672-00-5
Product Name:
8-(benzylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
Formula:
C22H30N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 414.6 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Exact Mass | 414.20894739 g/mol |
| Monoisotopic Mass | 414.20894739 g/mol |
| Topological Polar Surface Area | 92.5 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 541 |
| 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 |