3-[2-cyano-3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enamido]benzoic acid
Chemical Structure Depiction of
3-[2-cyano-3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enamido]benzoic acid
3-[2-cyano-3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enamido]benzoic acid
Compound characteristics
| Compound ID: | 8013-8261 |
| Compound Name: | 3-[2-cyano-3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enamido]benzoic acid |
| Molecular Weight: | 492.27 |
| Molecular Formula: | C20 H17 I N2 O5 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2cccc(c2)C(O)=O)=O)cc(c1OC)I |
| Stereo: | ACHIRAL |
| logP: | 4.7277 |
| logD: | 1.8419 |
| logSw: | -4.3397 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.721 |
| InChI Key: | UTOOIWLQRVPENM-UHFFFAOYSA-N |