8-(benzylsulfanyl)-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-(benzylsulfanyl)-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
8-(benzylsulfanyl)-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0397 |
| Compound Name: | 8-(benzylsulfanyl)-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C19 H16 N4 O S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2739 |
| logD: | 3.2727 |
| logSw: | -3.5831 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.174 |
| InChI Key: | BTLIHYNQLWCQQI-UHFFFAOYSA-N |