8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9-ethyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9-ethyl-1,9-dihydro-6H-purin-6-one
8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9-ethyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0049 |
| Compound Name: | 8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9-ethyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 338.79 |
| Molecular Formula: | C14 H12 Cl F N4 O S |
| Smiles: | CCn1c2c(C(NC=N2)=O)nc1SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.0696 |
| logD: | 3.0689 |
| logSw: | -3.5274 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.427 |
| InChI Key: | UKTPGKXLXPHOAB-UHFFFAOYSA-N |