6-ethoxy-2-{2-[4-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
6-ethoxy-2-{2-[4-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
6-ethoxy-2-{2-[4-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7771-0669 |
| Compound Name: | 6-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)[N+](C)=C(/C=C/c1ccc(cc1)C(=O)OC)C2(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.0509 |
| logD: | 6.0509 |
| logSw: | -5.5909 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.1794 |
| InChI Key: | DTPANYLCUNHFSF-NTEUORMPSA-N |