8-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8017-4472 |
| Compound Name: | 8-{[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 533.37 |
| Molecular Formula: | C22 H18 Br F N4 O4 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCc2cc3c(cc2[Br])OCO3)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.416 |
| logD: | 5.416 |
| logSw: | -5.3176 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.13 |
| InChI Key: | CNHHUFWHMKXSIO-UHFFFAOYSA-N |