9-methyl-8-[({5-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
9-methyl-8-[({5-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-1,9-dihydro-6H-purin-6-one
9-methyl-8-[({5-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0141 |
| Compound Name: | 9-methyl-8-[({5-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C20 H21 N5 O2 S |
| Smiles: | CC(C)c1ccc(cc1)c1nc(CSc2nc3C(NC=Nc3n2C)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.5257 |
| logD: | 3.5245 |
| logSw: | -3.7096 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.634 |
| InChI Key: | WTYJBIQBWFOIHH-UHFFFAOYSA-N |