9-(4-methylphenyl)-8-{[(pyridin-3-yl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
9-(4-methylphenyl)-8-{[(pyridin-3-yl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
9-(4-methylphenyl)-8-{[(pyridin-3-yl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0389 |
| Compound Name: | 9-(4-methylphenyl)-8-{[(pyridin-3-yl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C18 H15 N5 O S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCc1cccnc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2619 |
| logD: | 2.1481 |
| logSw: | -2.0739 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.692 |
| InChI Key: | UROAHHYIKLOSFQ-UHFFFAOYSA-N |