7-[(2-fluorophenyl)methyl]-8-{[(2-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-8-{[(2-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-8-{[(2-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8014-8957 |
| Compound Name: | 7-[(2-fluorophenyl)methyl]-8-{[(2-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C21 H18 F2 N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCc2ccccc2F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.028 |
| logD: | 5.0279 |
| logSw: | -4.6487 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.015 |
| InChI Key: | JANWMPVZHKSQOZ-UHFFFAOYSA-N |