ethyl 5-({[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}methyl)-1,2-oxazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-({[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}methyl)-1,2-oxazole-3-carboxylate
ethyl 5-({[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}methyl)-1,2-oxazole-3-carboxylate
Compound characteristics
| Compound ID: | G754-0400 |
| Compound Name: | ethyl 5-({[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}methyl)-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 411.44 |
| Molecular Formula: | C19 H17 N5 O4 S |
| Smiles: | CCOC(c1cc(CSc2nc3C(NC=Nc3n2c2ccc(C)cc2)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8807 |
| logD: | 2.8794 |
| logSw: | -3.3078 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.905 |
| InChI Key: | LFJKWZDYKUQLOR-UHFFFAOYSA-N |