8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-5478 |
| Compound Name: | 8-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 334.37 |
| Molecular Formula: | C15 H15 F N4 O2 S |
| Smiles: | CN1C(c2c(nc(n2C)SCc2ccc(cc2)F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4362 |
| logD: | 2.4361 |
| logSw: | -2.5685 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.096 |
| InChI Key: | HGZQKVKWOSVDLJ-UHFFFAOYSA-N |