8-({[2-(4-ethoxy-3-methoxyphenyl)-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-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
8-({[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
Compound ID: | J095-0382 |
Compound Name: | 8-({[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one |
Molecular Weight: | 441.51 |
Molecular Formula: | C21 H23 N5 O4 S |
Smiles: | CCOc1ccc(cc1OC)c1nc(CSc2nc3C(NC(C)=Nc3n2C)=O)c(C)o1 |
Stereo: | ACHIRAL |
logP: | 2.7621 |
logD: | 2.7454 |
logSw: | -3.2817 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.375 |
InChI Key: | HPABXSZOVHFBKO-UHFFFAOYSA-N |