5-(methoxycarbonyl)-1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-indol-1-ium
Chemical Structure Depiction of
5-(methoxycarbonyl)-1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-indol-1-ium
5-(methoxycarbonyl)-1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-indol-1-ium
Compound characteristics
| Compound ID: | 5018-0066 |
| Compound Name: | 5-(methoxycarbonyl)-1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-indol-1-ium |
| Molecular Weight: | 500.38 |
| Molecular Formula: | C24 H25 N2 O2 |
| Salt: | I- |
| Smiles: | Cc1c(/C=C/C2C(C)(C)c3cc(ccc3[N+]=2C)C(=O)OC)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.6197 |
| logD: | 5.6197 |
| logSw: | -5.6811 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.982 |
| InChI Key: | CNANZYWKSUIRCE-UHFFFAOYSA-O |