8-{[(3,4-diethoxyphenyl)methyl]sulfanyl}-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(3,4-diethoxyphenyl)methyl]sulfanyl}-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(3,4-diethoxyphenyl)methyl]sulfanyl}-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-6351 |
| Compound Name: | 8-{[(3,4-diethoxyphenyl)methyl]sulfanyl}-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C25 H27 F N4 O4 S |
| Smiles: | CCOc1ccc(CSc2nc3c(C(N(C)C(N3C)=O)=O)n2Cc2ccccc2F)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.8056 |
| logD: | 4.8056 |
| logSw: | -4.5835 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.435 |
| InChI Key: | OBWBCBGTFXNZNM-UHFFFAOYSA-N |