8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0342 |
| Compound Name: | 8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C21 H20 N4 O S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCc1cc(C)ccc1C |
| Stereo: | ACHIRAL |
| logP: | 4.779 |
| logD: | 4.7778 |
| logSw: | -4.4967 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.174 |
| InChI Key: | OJVXYGVBHPLNHC-UHFFFAOYSA-N |