9-(4-methylphenyl)-8-{[(4-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
9-(4-methylphenyl)-8-{[(4-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
9-(4-methylphenyl)-8-{[(4-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0298 |
| Compound Name: | 9-(4-methylphenyl)-8-{[(4-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cc1ccc(CSc2nc3C(NC=Nc3n2c2ccc(C)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6973 |
| logD: | 3.6961 |
| logSw: | -3.8546 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.174 |
| InChI Key: | HZXUEWPTAWEJHC-UHFFFAOYSA-N |