9-ethyl-8-{[(3-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
9-ethyl-8-{[(3-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
9-ethyl-8-{[(3-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0013 |
| Compound Name: | 9-ethyl-8-{[(3-methylphenyl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 300.38 |
| Molecular Formula: | C15 H16 N4 O S |
| Smiles: | CCn1c2c(C(NC=N2)=O)nc1SCc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8166 |
| logD: | 2.8159 |
| logSw: | -3.161 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.427 |
| InChI Key: | AIRNEEJHCIQLHP-UHFFFAOYSA-N |