9-methyl-8-{[(3-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
9-methyl-8-{[(3-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
9-methyl-8-{[(3-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0012 |
| Compound Name: | 9-methyl-8-{[(3-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 286.35 |
| Molecular Formula: | C14 H14 N4 O S |
| Smiles: | Cc1cccc(CSc2nc3C(NC=Nc3n2C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.202 |
| logD: | 2.2014 |
| logSw: | -2.6281 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.512 |
| InChI Key: | RCJKACHYRIHSJW-UHFFFAOYSA-N |