5-ethoxy-2-{2-[4-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
5-ethoxy-2-{2-[4-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
5-ethoxy-2-{2-[4-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6253-0062 |
| Compound Name: | 5-ethoxy-2-{2-[4-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 491.37 |
| Molecular Formula: | C23 H26 N O3 |
| Salt: | I- |
| Smiles: | CCOc1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(cc1)C(=O)OC)=[N+]2C |
| Stereo: | ACHIRAL |
| logP: | 5.7885 |
| logD: | 5.7885 |
| logSw: | -5.5531 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.1794 |
| InChI Key: | TYPFFVHKDOVMLF-NTEUORMPSA-N |