3-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]benzoic acid
Chemical Structure Depiction of
3-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]benzoic acid
3-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]benzoic acid
Compound characteristics
| Compound ID: | 2332-0877 |
| Compound Name: | 3-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]benzoic acid |
| Molecular Weight: | 322.32 |
| Molecular Formula: | C18 H14 N2 O4 |
| Smiles: | COc1ccc(\C=C(/C#N)C(Nc2cccc(c2)C(O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6543 |
| logD: | 0.7685 |
| logSw: | -4.0858 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.338 |
| InChI Key: | HMKAIGNUWIULQT-UHFFFAOYSA-N |