3-[2-cyano-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enamido]benzoic acid
Chemical Structure Depiction of
3-[2-cyano-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enamido]benzoic acid
3-[2-cyano-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enamido]benzoic acid
Compound characteristics
| Compound ID: | 8013-8260 |
| Compound Name: | 3-[2-cyano-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enamido]benzoic acid |
| Molecular Weight: | 478.24 |
| Molecular Formula: | C19 H15 I N2 O5 |
| Smiles: | COc1cc(\C=C(/C#N)C(Nc2cccc(c2)C(O)=O)=O)cc(c1OC)I |
| Stereo: | ACHIRAL |
| logP: | 4.4528 |
| logD: | 1.567 |
| logSw: | -4.4358 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.142 |
| InChI Key: | RZTPNVOMFYDTTK-UHFFFAOYSA-N |