7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8014-1194 |
| Compound Name: | 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-2-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C20 H18 F N5 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCc2ccccn2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6681 |
| logD: | 3.6618 |
| logSw: | -3.7461 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.558 |
| InChI Key: | XHXYJZPTTQTXHJ-UHFFFAOYSA-N |