3-{2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]quinolin-1(2H)-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]quinolin-1(2H)-yl}propane-1-sulfonate
3-{2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]quinolin-1(2H)-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 7165-0234 |
| Compound Name: | 3-{2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]quinolin-1(2H)-yl}propane-1-sulfonate |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C25 H26 N2 O3 S |
| Smiles: | CC[n+]1c(/C=C2/C=Cc3ccccc3N2CCCS([O-])(=O)=O)ccc2cc(C)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.2447 |
| logD: | 4.2447 |
| logSw: | -4.2115 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.234 |
| InChI Key: | LXEZUUHSAUKJPV-UHFFFAOYSA-N |