9-{[4-acetyl-5-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-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: | G642-0547 |
| Compound Name: | 9-{[4-acetyl-5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 426.39 |
| Molecular Formula: | C19 H18 N6 O6 |
| Smiles: | CC(N1C(c2ccc3c(c2)OCO3)OC(Cn2cnc3C(N(C)C(N(C)c23)=O)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1163 |
| logD: | 1.1161 |
| logSw: | -1.9965 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.45 |
| InChI Key: | LYVZXSVEJGGGMN-GOSISDBHSA-N |