8-{[(3-chlorophenyl)methyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(3-chlorophenyl)methyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
8-{[(3-chlorophenyl)methyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0167 |
| Compound Name: | 8-{[(3-chlorophenyl)methyl]sulfanyl}-9-phenyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 368.84 |
| Molecular Formula: | C18 H13 Cl N4 O S |
| Smiles: | C(c1cccc(c1)[Cl])Sc1nc2C(NC=Nc2n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.662 |
| logD: | 3.6607 |
| logSw: | -4.1264 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.174 |
| InChI Key: | QYAKSUDMLBVMFG-UHFFFAOYSA-N |