2-{2-[4-(diethylamino)phenyl]ethenyl}-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-{2-[4-(diethylamino)phenyl]ethenyl}-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
2-{2-[4-(diethylamino)phenyl]ethenyl}-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5018-0027 |
| Compound Name: | 2-{2-[4-(diethylamino)phenyl]ethenyl}-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 518.44 |
| Molecular Formula: | C25 H31 N2 O2 |
| Salt: | I- |
| Smiles: | CCN(CC)c1ccc(/C=C/C2C(C)(C)c3cc(ccc3[N+]=2C)C(=O)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1938 |
| logD: | 6.1921 |
| logSw: | -5.5576 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.792 |
| InChI Key: | CFAUDHLSVXGFSN-UHFFFAOYSA-N |