3-(3-{3-bromo-5-ethoxy-4-[(4-methoxybenzoyl)oxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid
Chemical Structure Depiction of
3-(3-{3-bromo-5-ethoxy-4-[(4-methoxybenzoyl)oxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid
3-(3-{3-bromo-5-ethoxy-4-[(4-methoxybenzoyl)oxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid
Compound characteristics
| Compound ID: | 8013-8251 |
| Compound Name: | 3-(3-{3-bromo-5-ethoxy-4-[(4-methoxybenzoyl)oxy]phenyl}-2-cyanoprop-2-enamido)benzoic acid |
| Molecular Weight: | 565.38 |
| Molecular Formula: | C27 H21 Br N2 O7 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2cccc(c2)C(O)=O)=O)cc(c1OC(c1ccc(cc1)OC)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.6676 |
| logD: | 2.7818 |
| logSw: | -5.4593 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.099 |
| InChI Key: | AZOFXKBWFBABBM-UHFFFAOYSA-N |