3-[2-cyano-3-(4-ethoxy-3,5-diiodophenyl)prop-2-enamido]benzoic acid
Chemical Structure Depiction of
3-[2-cyano-3-(4-ethoxy-3,5-diiodophenyl)prop-2-enamido]benzoic acid
3-[2-cyano-3-(4-ethoxy-3,5-diiodophenyl)prop-2-enamido]benzoic acid
Compound characteristics
| Compound ID: | 8013-8256 |
| Compound Name: | 3-[2-cyano-3-(4-ethoxy-3,5-diiodophenyl)prop-2-enamido]benzoic acid |
| Molecular Weight: | 588.14 |
| Molecular Formula: | C19 H14 I2 N2 O4 |
| Smiles: | CCOc1c(cc(\C=C(/C#N)C(Nc2cccc(c2)C(O)=O)=O)cc1I)I |
| Stereo: | ACHIRAL |
| logP: | 5.7931 |
| logD: | 2.9073 |
| logSw: | -5.3638 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.091 |
| InChI Key: | CZCBQZGVJARKML-UHFFFAOYSA-N |