8-[(4-chlorophenyl)sulfanyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-chlorophenyl)sulfanyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-chlorophenyl)sulfanyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0212 |
| Compound Name: | 8-[(4-chlorophenyl)sulfanyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C20 H16 Cl F N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)Sc2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2894 |
| logD: | 5.2894 |
| logSw: | -5.8688 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.015 |
| InChI Key: | VLMDZGDBOJOHFW-UHFFFAOYSA-N |