2-(2-{4-[(4-ethoxyphenyl)(methyl)amino]phenyl}ethenyl)-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-(2-{4-[(4-ethoxyphenyl)(methyl)amino]phenyl}ethenyl)-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
2-(2-{4-[(4-ethoxyphenyl)(methyl)amino]phenyl}ethenyl)-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5018-0029 |
| Compound Name: | 2-(2-{4-[(4-ethoxyphenyl)(methyl)amino]phenyl}ethenyl)-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 596.51 |
| Molecular Formula: | C30 H33 N2 O3 |
| Salt: | I- |
| Smiles: | CCOc1ccc(cc1)N(C)c1ccc(/C=C/C2C(C)(C)c3cc(ccc3[N+]=2C)C(=O)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6987 |
| logD: | 6.6978 |
| logSw: | -5.7225 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.353 |
| InChI Key: | WFQBYFQCJPHJOY-UHFFFAOYSA-N |