2-[2-(4-{ethyl[4-(methoxycarbonyl)phenyl]amino}phenyl)ethenyl]-6-methoxy-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[2-(4-{ethyl[4-(methoxycarbonyl)phenyl]amino}phenyl)ethenyl]-6-methoxy-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
2-[2-(4-{ethyl[4-(methoxycarbonyl)phenyl]amino}phenyl)ethenyl]-6-methoxy-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7771-0509 |
| Compound Name: | 2-[2-(4-{ethyl[4-(methoxycarbonyl)phenyl]amino}phenyl)ethenyl]-6-methoxy-1,3,3-trimethyl-3H-indol-1-ium--iodide (1/1) |
| Molecular Weight: | 596.51 |
| Molecular Formula: | C30 H33 N2 O3 |
| Salt: | I- |
| Smiles: | CCN(c1ccc(/C=C/C2C(C)(C)c3ccc(cc3[N+]=2C)OC)cc1)c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 7.533 |
| logD: | 7.5329 |
| logSw: | -5.7052 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.751 |
| InChI Key: | ZLNDWRMUUHQUCP-UHFFFAOYSA-N |