9-{[4-acetyl-5-(2-bromo-4,5-dimethoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
9-{[4-acetyl-5-(2-bromo-4,5-dimethoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
9-{[4-acetyl-5-(2-bromo-4,5-dimethoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G642-0548 |
| Compound Name: | 9-{[4-acetyl-5-(2-bromo-4,5-dimethoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 521.33 |
| Molecular Formula: | C20 H21 Br N6 O6 |
| Smiles: | CC(N1C(c2cc(c(cc2[Br])OC)OC)OC(Cn2cnc3C(N(C)C(N(C)c23)=O)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2249 |
| logD: | 1.2247 |
| logSw: | -1.7495 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.595 |
| InChI Key: | RBCTXFWDOREUDW-IBGZPJMESA-N |