8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0042 |
| Compound Name: | 8-{[(2,5-dimethylphenyl)methyl]sulfanyl}-9-methyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 300.38 |
| Molecular Formula: | C15 H16 N4 O S |
| Smiles: | Cc1ccc(C)c(CSc2nc3C(NC=Nc3n2C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.783 |
| logD: | 2.7822 |
| logSw: | -3.0449 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.512 |
| InChI Key: | RGHPXFUJDAJHBZ-UHFFFAOYSA-N |