8-{[(4-chlorophenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(4-chlorophenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
8-{[(4-chlorophenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0043 |
| Compound Name: | 8-{[(4-chlorophenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 306.77 |
| Molecular Formula: | C13 H11 Cl N4 O S |
| Smiles: | Cn1c2c(C(NC=N2)=O)nc1SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.8726 |
| logD: | 1.872 |
| logSw: | -2.851 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.512 |
| InChI Key: | GHBGIGNVHCVPTD-UHFFFAOYSA-N |