7-heptyl-3-methyl-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-heptyl-3-methyl-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
7-heptyl-3-methyl-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2516-4998 |
| Compound Name: | 7-heptyl-3-methyl-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 352.5 |
| Molecular Formula: | C17 H28 N4 O2 S |
| Smiles: | CCCCCCCn1c2C(NC(N(C)c2nc1SCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1102 |
| logD: | 5.1101 |
| logSw: | -4.7585 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.45 |
| InChI Key: | BJXJYSFJFJFCAT-UHFFFAOYSA-N |