4-[3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)prop-2-enamido]benzoic acid
Chemical Structure Depiction of
4-[3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)prop-2-enamido]benzoic acid
4-[3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)prop-2-enamido]benzoic acid
Compound characteristics
| Compound ID: | 5590-0068 |
| Compound Name: | 4-[3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)prop-2-enamido]benzoic acid |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C28 H28 N2 O6 |
| Smiles: | CCOc1ccc(\C=C(/C(Nc2ccc(cc2)C(O)=O)=O)NC(c2ccccc2C)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.4322 |
| logD: | 2.037 |
| logSw: | -4.1918 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.083 |
| InChI Key: | DNMZICBYNBKNHJ-UHFFFAOYSA-N |