1-[3-(4-ethoxy-4-oxobutyl)-1H-indol-2-yl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[3-(4-ethoxy-4-oxobutyl)-1H-indol-2-yl]pyridin-1-ium--bromide (1/1)
1-[3-(4-ethoxy-4-oxobutyl)-1H-indol-2-yl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K783-4370 |
| Compound Name: | 1-[3-(4-ethoxy-4-oxobutyl)-1H-indol-2-yl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 389.29 |
| Molecular Formula: | C19 H21 N2 O2 |
| Salt: | Br- |
| Smiles: | CCOC(CCCc1c2ccccc2[nH]c1[n+]1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5203 |
| logD: | 3.5203 |
| logSw: | -3.7216 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.647 |
| InChI Key: | QMFUBFYLXWAIIL-UHFFFAOYSA-N |