7-(but-2-en-1-yl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(but-2-en-1-yl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-(but-2-en-1-yl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-1762 |
| Compound Name: | 7-(but-2-en-1-yl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 420.62 |
| Molecular Formula: | C22 H36 N4 O2 S |
| Smiles: | CCCCCCCCCCCCSc1nc2c(C(NC(N2C)=O)=O)n1C/C=C/C |
| Stereo: | ACHIRAL |
| logP: | 7.762 |
| logD: | 7.7618 |
| logSw: | -5.7792 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.45 |
| InChI Key: | PFIPSMPOLXJKNY-UHFFFAOYSA-N |