8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0169 |
| Compound Name: | 8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 386.83 |
| Molecular Formula: | C18 H12 Cl F N4 O S |
| Smiles: | C(c1c(cccc1[Cl])F)Sc1nc2C(NC=Nc2n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7556 |
| logD: | 3.7544 |
| logSw: | -4.1801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.174 |
| InChI Key: | OVOMEAWDLKXLAO-UHFFFAOYSA-N |