5-(methoxycarbonyl)-2-[2-(2-methoxy-3,6-dimethylphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium
Chemical Structure Depiction of
5-(methoxycarbonyl)-2-[2-(2-methoxy-3,6-dimethylphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium
5-(methoxycarbonyl)-2-[2-(2-methoxy-3,6-dimethylphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium
Compound characteristics
| Compound ID: | 7771-0535 |
| Compound Name: | 5-(methoxycarbonyl)-2-[2-(2-methoxy-3,6-dimethylphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium |
| Molecular Weight: | 505.4 |
| Molecular Formula: | C24 H28 N O3 |
| Salt: | I- |
| Smiles: | Cc1ccc(C)c(c1/C=C/C1C(C)(C)c2cc(ccc2[N+]=1C)C(=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 6.2452 |
| logD: | 6.2452 |
| logSw: | -5.5433 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.7728 |
| InChI Key: | PWCAWWUAALZAQB-UHFFFAOYSA-N |