8-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
8-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0379 |
| Compound Name: | 8-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C20 H21 N5 O3 S |
| Smiles: | CCOc1ccc(cc1)c1nc(CSc2nc3C(NC(C)=Nc3n2C)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.2415 |
| logD: | 3.2248 |
| logSw: | -3.3941 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.658 |
| InChI Key: | CQKIZXJBWFRKOW-UHFFFAOYSA-N |