8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0055 |
| Compound Name: | 8-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 324.76 |
| Molecular Formula: | C13 H10 Cl F N4 O S |
| Smiles: | Cn1c2c(C(NC=N2)=O)nc1SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 2.4551 |
| logD: | 2.4545 |
| logSw: | -3.3485 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.512 |
| InChI Key: | GDOBFCRBZAPPJJ-UHFFFAOYSA-N |