8-(decylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(decylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(decylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 1486-0597 |
| Compound Name: | 8-(decylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 352.5 |
| Molecular Formula: | C17 H28 N4 O2 S |
| Smiles: | CCCCCCCCCCSc1nc2c(C(NC(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 5.3631 |
| logD: | 5.3629 |
| logSw: | -5.0847 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.282 |
| InChI Key: | GAAPNDHMKKDURC-UHFFFAOYSA-N |