2-[2-(4-ethoxyphenyl)ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[2-(4-ethoxyphenyl)ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
2-[2-(4-ethoxyphenyl)ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5018-0024 |
| Compound Name: | 2-[2-(4-ethoxyphenyl)ethenyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 491.37 |
| Molecular Formula: | C23 H26 N O3 |
| Salt: | I- |
| Smiles: | CCOc1ccc(/C=C/C2C(C)(C)c3cc(ccc3[N+]=2C)C(=O)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7523 |
| logD: | 5.7523 |
| logSw: | -5.5052 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.1794 |
| InChI Key: | MDUVMUXJYCGCAP-NTEUORMPSA-N |