ethyl 3-(4-{3-[4-(acetyloxy)-3-methoxyphenyl]-2-benzamidoprop-2-enamido}phenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
Chemical Structure Depiction of
ethyl 3-(4-{3-[4-(acetyloxy)-3-methoxyphenyl]-2-benzamidoprop-2-enamido}phenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
ethyl 3-(4-{3-[4-(acetyloxy)-3-methoxyphenyl]-2-benzamidoprop-2-enamido}phenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
Compound characteristics
| Compound ID: | 2117-0058 |
| Compound Name: | ethyl 3-(4-{3-[4-(acetyloxy)-3-methoxyphenyl]-2-benzamidoprop-2-enamido}phenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate |
| Molecular Weight: | 675.7 |
| Molecular Formula: | C38 H33 N3 O9 |
| Smiles: | CCOC(C(Cc1ccc(cc1)NC(/C(=C/c1ccc(c(c1)OC)OC(C)=O)NC(c1ccccc1)=O)=O)N1C(c2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3634 |
| logD: | 5.3036 |
| logSw: | -5.4689 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.654 |
| InChI Key: | YJVNTKODEUKDNF-HKBQPEDESA-N |