331841-63-5
Product Name:
8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Formula:
C18H21ClN4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 392.9 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 392.1073748 g/mol |
| Monoisotopic Mass | 392.1073748 g/mol |
| Topological Polar Surface Area | 92.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 535 |
| 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 |