methyl 2-{3-[4-(benzoyloxy)-3-methoxyphenyl]-2-cyanoprop-2-enamido}benzoate
Chemical Structure Depiction of
methyl 2-{3-[4-(benzoyloxy)-3-methoxyphenyl]-2-cyanoprop-2-enamido}benzoate
methyl 2-{3-[4-(benzoyloxy)-3-methoxyphenyl]-2-cyanoprop-2-enamido}benzoate
Compound characteristics
| Compound ID: | 8013-9650 |
| Compound Name: | methyl 2-{3-[4-(benzoyloxy)-3-methoxyphenyl]-2-cyanoprop-2-enamido}benzoate |
| Molecular Weight: | 456.45 |
| Molecular Formula: | C26 H20 N2 O6 |
| Smiles: | COC(c1ccccc1NC(C(=C\c1ccc(c(c1)OC)OC(c1ccccc1)=O)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4267 |
| logD: | 3.0387 |
| logSw: | -4.5034 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.957 |
| InChI Key: | ZBQZEPGDUNVYTN-UHFFFAOYSA-N |