8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
Compound ID: | J095-0046 |
Compound Name: | 8-{[(2-chloro-6-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)nc1SCc1c(cccc1[Cl])F |
Stereo: | ACHIRAL |
logP: | 2.3045 |
logD: | 2.3039 |
logSw: | -3.1602 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.512 |
InChI Key: | UVGRVNQLRMADLE-UHFFFAOYSA-N |