2-[2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enamido]benzoic acid
Chemical Structure Depiction of
2-[2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enamido]benzoic acid
2-[2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enamido]benzoic acid
Compound characteristics
| Compound ID: | Y505-4707 |
| Compound Name: | 2-[2-cyano-3-(2,3-dimethoxyphenyl)prop-2-enamido]benzoic acid |
| Molecular Weight: | 352.34 |
| Molecular Formula: | C19 H16 N2 O5 |
| Smiles: | COc1cccc(\C=C(/C#N)C(Nc2ccccc2C(O)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4836 |
| logD: | -0.9337 |
| logSw: | -3.795 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.444 |
| InChI Key: | WBPWLQOQCRHHOP-UHFFFAOYSA-N |