1-ethyl-6-(methoxycarbonyl)-2-(2-{4-[(4-methoxyphenyl)(methyl)amino]phenyl}ethenyl)-3,3-dimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-ethyl-6-(methoxycarbonyl)-2-(2-{4-[(4-methoxyphenyl)(methyl)amino]phenyl}ethenyl)-3,3-dimethyl-3H-indol-1-ium--iodide (1/1)
1-ethyl-6-(methoxycarbonyl)-2-(2-{4-[(4-methoxyphenyl)(methyl)amino]phenyl}ethenyl)-3,3-dimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7771-0812 |
| Compound Name: | 1-ethyl-6-(methoxycarbonyl)-2-(2-{4-[(4-methoxyphenyl)(methyl)amino]phenyl}ethenyl)-3,3-dimethyl-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 596.51 |
| Molecular Formula: | C30 H33 N2 O3 |
| Salt: | I- |
| Smiles: | CC[N+]1=C(/C=C/c2ccc(cc2)N(C)c2ccc(cc2)OC)C(C)(C)c2ccc(cc12)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.6619 |
| logD: | 6.661 |
| logSw: | -5.7086 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.51 |
| InChI Key: | YJKPUBYZXMFPGK-UHFFFAOYSA-N |