3-(3-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid
Chemical Structure Depiction of
3-(3-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid
3-(3-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid
Compound characteristics
| Compound ID: | 8013-8243 |
| Compound Name: | 3-(3-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-2-cyanoprop-2-enamido)benzoic acid |
| Molecular Weight: | 476.92 |
| Molecular Formula: | C26 H21 Cl N2 O5 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2cccc(c2)C(O)=O)=O)ccc1OCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4319 |
| logD: | 2.5461 |
| logSw: | -5.6288 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.318 |
| InChI Key: | SLCZMYOUPOPOIZ-UHFFFAOYSA-N |