HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,7-Dibenzyl-8-benzylsulfanyl-3-methylpurine-2,6-dione
1,7-dibenzyl-8-(benzylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Identifiers & Physical Properties
| CAS No. | 331236-34-1 |
|---|---|
| Molecular formula | C27H24N4O2S |
| Average molar mass | 468.6 g/mol |
| SMILES | Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(SCc1ccccc1)n2Cc1ccccc1 |
| InChIKey | TXSIMDMWVFSBDT-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 5 |
|---|---|
| Topological polar surface area | 83.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 7 |
| Heavy atoms | 34 |
| Formal charge | 0 |
| Complexity | 703 |