methyl 2-{3-[4-(benzoyloxy)-3-ethoxyphenyl]-2-cyanoprop-2-enamido}benzoate
Chemical Structure Depiction of
methyl 2-{3-[4-(benzoyloxy)-3-ethoxyphenyl]-2-cyanoprop-2-enamido}benzoate
methyl 2-{3-[4-(benzoyloxy)-3-ethoxyphenyl]-2-cyanoprop-2-enamido}benzoate
Compound characteristics
| Compound ID: | 8013-9651 |
| Compound Name: | methyl 2-{3-[4-(benzoyloxy)-3-ethoxyphenyl]-2-cyanoprop-2-enamido}benzoate |
| Molecular Weight: | 470.48 |
| Molecular Formula: | C27 H22 N2 O6 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2ccccc2C(=O)OC)=O)ccc1OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5723 |
| logD: | 3.1843 |
| logSw: | -4.4712 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.537 |
| InChI Key: | FGDBIOCXHBYJCD-UHFFFAOYSA-N |