1,3,7-trimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3,7-trimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
1,3,7-trimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3728-1936 |
| Compound Name: | 1,3,7-trimethyl-8-{[(2-methylphenyl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 330.41 |
| Molecular Formula: | C16 H18 N4 O2 S |
| Smiles: | Cc1ccccc1CSc1nc2c(C(N(C)C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 3.4848 |
| logD: | 3.4846 |
| logSw: | -3.5607 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.096 |
| InChI Key: | RTOSGFHRWWYITC-UHFFFAOYSA-N |