2,9-dimethyl-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
2,9-dimethyl-8-[({5-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxazol-4-yl}methyl)sulfanyl]-1,9-dihydro-6H-purin-6-one
2,9-dimethyl-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: | J095-0390 |
| Compound Name: | 2,9-dimethyl-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: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Smiles: | CC(C)c1ccc(cc1)c1nc(CSc2nc3C(NC(C)=Nc3n2C)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.2107 |
| logD: | 4.194 |
| logSw: | -4.1298 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.534 |
| InChI Key: | AQGUPGSULUAGLY-UHFFFAOYSA-N |