8-{[(3-chlorophenyl)methyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(3-chlorophenyl)methyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
8-{[(3-chlorophenyl)methyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0344 |
| Compound Name: | 8-{[(3-chlorophenyl)methyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 382.87 |
| Molecular Formula: | C19 H15 Cl N4 O S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2069 |
| logD: | 4.2057 |
| logSw: | -4.5016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.174 |
| InChI Key: | HYJMKWLIVLWCTN-UHFFFAOYSA-N |