8-(dodecylsulfanyl)-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(dodecylsulfanyl)-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(dodecylsulfanyl)-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-1765 |
| Compound Name: | 8-(dodecylsulfanyl)-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 424.61 |
| Molecular Formula: | C21 H36 N4 O3 S |
| Smiles: | CCCCCCCCCCCCSc1nc2c(C(NC(N2C)=O)=O)n1CCOC |
| Stereo: | ACHIRAL |
| logP: | 6.5427 |
| logD: | 6.5426 |
| logSw: | -5.6902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.792 |
| InChI Key: | WSLKSEYBXLFYTN-UHFFFAOYSA-N |