methyl 2-[2-cyano-3-(4-ethoxy-3,5-diiodophenyl)prop-2-enamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-cyano-3-(4-ethoxy-3,5-diiodophenyl)prop-2-enamido]benzoate
methyl 2-[2-cyano-3-(4-ethoxy-3,5-diiodophenyl)prop-2-enamido]benzoate
Compound characteristics
| Compound ID: | 8013-9661 |
| Compound Name: | methyl 2-[2-cyano-3-(4-ethoxy-3,5-diiodophenyl)prop-2-enamido]benzoate |
| Molecular Weight: | 602.17 |
| Molecular Formula: | C20 H16 I2 N2 O4 |
| Smiles: | CCOc1c(cc(\C=C(/C#N)C(Nc2ccccc2C(=O)OC)=O)cc1I)I |
| Stereo: | ACHIRAL |
| logP: | 5.592 |
| logD: | 4.204 |
| logSw: | -5.4984 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.159 |
| InChI Key: | ORLNKZSAKHHVLV-UHFFFAOYSA-N |