8-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-methyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-methyl-1,9-dihydro-6H-purin-6-one
8-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-methyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
Compound ID: | J095-0036 |
Compound Name: | 8-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-methyl-1,9-dihydro-6H-purin-6-one |
Molecular Weight: | 387.85 |
Molecular Formula: | C17 H14 Cl N5 O2 S |
Smiles: | Cc1c(CSc2nc3C(NC=Nc3n2C)=O)nc(c2ccc(cc2)[Cl])o1 |
Stereo: | ACHIRAL |
logP: | 2.7822 |
logD: | 2.781 |
logSw: | -3.6258 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.634 |
InChI Key: | VSHXMIBZVBYIMS-UHFFFAOYSA-N |