3-{2-[(1-ethylquinolin-2(1H)-ylidene)methyl]-7-methylquinolin-1-ium-1-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{2-[(1-ethylquinolin-2(1H)-ylidene)methyl]-7-methylquinolin-1-ium-1-yl}propane-1-sulfonate
3-{2-[(1-ethylquinolin-2(1H)-ylidene)methyl]-7-methylquinolin-1-ium-1-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 7165-0008 |
| Compound Name: | 3-{2-[(1-ethylquinolin-2(1H)-ylidene)methyl]-7-methylquinolin-1-ium-1-yl}propane-1-sulfonate |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C25 H26 N2 O3 S |
| Smiles: | CCN1C(\C=Cc2ccccc12)=C\c1ccc2ccc(C)cc2[n+]1CCCS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0292 |
| logD: | 4.0292 |
| logSw: | -4.0318 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.234 |
| InChI Key: | DSXDUKLHGXQRQN-UHFFFAOYSA-N |