8-{[(3-methylphenyl)methyl]sulfanyl}-9-[(oxolan-2-yl)methyl]-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(3-methylphenyl)methyl]sulfanyl}-9-[(oxolan-2-yl)methyl]-1,9-dihydro-6H-purin-6-one
8-{[(3-methylphenyl)methyl]sulfanyl}-9-[(oxolan-2-yl)methyl]-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0469 |
| Compound Name: | 8-{[(3-methylphenyl)methyl]sulfanyl}-9-[(oxolan-2-yl)methyl]-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C18 H20 N4 O2 S |
| Smiles: | Cc1cccc(CSc2nc3C(NC=Nc3n2CC2CCCO2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5611 |
| logD: | 2.5605 |
| logSw: | -2.7343 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.085 |
| InChI Key: | CDRHKQQSPXPARY-CQSZACIVSA-N |