9-methyl-8-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
9-methyl-8-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
9-methyl-8-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0005 |
| Compound Name: | 9-methyl-8-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C17 H15 N5 O2 S |
| Smiles: | Cc1c(CSc2nc3C(NC=Nc3n2C)=O)nc(c2ccccc2)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.0824 |
| logD: | 2.0812 |
| logSw: | -2.5285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.634 |
| InChI Key: | XQBJXYUIRHAXBZ-UHFFFAOYSA-N |