methyl {8-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
methyl {8-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
methyl {8-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | H025-3220 |
| Compound Name: | methyl {8-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C22 H26 N4 O6 |
| Smiles: | CCN1C(c2c(nc(/C=C/c3ccc(c(c3)OC)OC)n2CC(=O)OC)N(CC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7021 |
| logD: | 2.7021 |
| logSw: | -2.9677 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.438 |
| InChI Key: | DIFUVLGPXJGYPB-UHFFFAOYSA-N |