9-(4-methylphenyl)-8-{[(2-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
9-(4-methylphenyl)-8-{[(2-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
9-(4-methylphenyl)-8-{[(2-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0297 |
| Compound Name: | 9-(4-methylphenyl)-8-{[(2-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 4.3516 |
| logD: | 4.3504 |
| logSw: | -4.2384 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.174 |
| InChI Key: | XLYVFKTYHRRKDZ-UHFFFAOYSA-N |