{8-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetic acid
Chemical Structure Depiction of
{8-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetic acid
{8-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetic acid
Compound characteristics
| Compound ID: | H025-3219 |
| Compound Name: | {8-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetic acid |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C21 H24 N4 O6 |
| Smiles: | CCN1C(c2c(nc(/C=C/c3ccc(c(c3)OC)OC)n2CC(O)=O)N(CC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5218 |
| logD: | -2.1551 |
| logSw: | -2.003 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.243 |
| InChI Key: | CSEOAHDOFVDGPB-UHFFFAOYSA-N |