4-[2-(5-bromo-1H-indol-3-yl)ethenyl]-1-hexadecylquinolin-1-ium
Chemical Structure Depiction of
4-[2-(5-bromo-1H-indol-3-yl)ethenyl]-1-hexadecylquinolin-1-ium
4-[2-(5-bromo-1H-indol-3-yl)ethenyl]-1-hexadecylquinolin-1-ium
Compound characteristics
| Compound ID: | 4971-0036 |
| Compound Name: | 4-[2-(5-bromo-1H-indol-3-yl)ethenyl]-1-hexadecylquinolin-1-ium |
| Molecular Weight: | 654.57 |
| Molecular Formula: | C35 H46 Br N2 |
| Salt: | Br- |
| Smiles: | CCCCCCCCCCCCCCCC[n+]1ccc(/C=C/c2c[nH]c3ccc(cc23)[Br])c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 12.9661 |
| logD: | 12.9661 |
| logSw: | -6.2246 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 10.9083 |
| InChI Key: | DYCVLKMXABVYHZ-UHFFFAOYSA-O |