8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-8509 |
| Compound Name: | 8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C17 H20 N4 O2 S |
| Smiles: | Cc1ccc(C)c(CSc2nc3C(N(C)C(N(C)c3n2C)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9122 |
| logD: | 3.9122 |
| logSw: | -3.7332 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.04 |
| InChI Key: | JWOVRGJCWWKDAB-UHFFFAOYSA-N |