5-(methoxycarbonyl)-1,3,3-trimethyl-2-[2-(2,3,4-trimethoxyphenyl)ethenyl]-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
5-(methoxycarbonyl)-1,3,3-trimethyl-2-[2-(2,3,4-trimethoxyphenyl)ethenyl]-3H-indol-1-ium--iodide (1/1)
5-(methoxycarbonyl)-1,3,3-trimethyl-2-[2-(2,3,4-trimethoxyphenyl)ethenyl]-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7165-0813 |
| Compound Name: | 5-(methoxycarbonyl)-1,3,3-trimethyl-2-[2-(2,3,4-trimethoxyphenyl)ethenyl]-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 537.39 |
| Molecular Formula: | C24 H28 N O5 |
| Salt: | I- |
| Smiles: | CC1(C)C(/C=C/c2ccc(c(c2OC)OC)OC)=[N+](C)c2ccc(cc12)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.1766 |
| logD: | 5.1766 |
| logSw: | -5.0827 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.12 |
| InChI Key: | PABJIJGHBMKQEE-JLHYYAGUSA-N |