8-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-9-phenyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-9-phenyl-1,9-dihydro-6H-purin-6-one
8-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-9-phenyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
Compound ID: | G754-0176 |
Compound Name: | 8-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-9-phenyl-1,9-dihydro-6H-purin-6-one |
Molecular Weight: | 429.5 |
Molecular Formula: | C23 H19 N5 O2 S |
Smiles: | Cc1ccc(cc1)c1nc(CSc2nc3C(NC=Nc3n2c2ccccc2)=O)c(C)o1 |
Stereo: | ACHIRAL |
logP: | 4.062 |
logD: | 4.0606 |
logSw: | -4.1087 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.296 |
InChI Key: | IQOXKQBMUVZJEG-UHFFFAOYSA-N |