(4-{3-acetyl-5-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenoxy)acetonitrile
Chemical Structure Depiction of
(4-{3-acetyl-5-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenoxy)acetonitrile
(4-{3-acetyl-5-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenoxy)acetonitrile
Compound characteristics
| Compound ID: | G642-0552 |
| Compound Name: | (4-{3-acetyl-5-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)methyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-2-methoxyphenoxy)acetonitrile |
| Molecular Weight: | 467.44 |
| Molecular Formula: | C21 H21 N7 O6 |
| Smiles: | CC(N1C(c2ccc(c(c2)OC)OCC#N)OC(Cn2cnc3C(N(C)C(N(C)c23)=O)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2792 |
| logD: | 0.2791 |
| logSw: | -1.672 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 110.961 |
| InChI Key: | FPVQVQRIKFDSAX-HXUWFJFHSA-N |