8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-1621 |
| Compound Name: | 8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 362.42 |
| Molecular Formula: | C17 H19 F N4 O2 S |
| Smiles: | CC(C)n1c2C(N(C)C(N(C)c2nc1SCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2519 |
| logD: | 3.2516 |
| logSw: | -3.4384 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.362 |
| InChI Key: | OUXYWCSJZAKCTR-UHFFFAOYSA-N |