3-{2-[(1-ethyl-6-methylquinolin-2(1H)-ylidene)methyl]-6-methylquinolin-1-ium-1-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{2-[(1-ethyl-6-methylquinolin-2(1H)-ylidene)methyl]-6-methylquinolin-1-ium-1-yl}propane-1-sulfonate
3-{2-[(1-ethyl-6-methylquinolin-2(1H)-ylidene)methyl]-6-methylquinolin-1-ium-1-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 4890-0273 |
| Compound Name: | 3-{2-[(1-ethyl-6-methylquinolin-2(1H)-ylidene)methyl]-6-methylquinolin-1-ium-1-yl}propane-1-sulfonate |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C26 H28 N2 O3 S |
| Smiles: | CCN1C(\C=Cc2cc(C)ccc12)=C\c1ccc2cc(C)ccc2[n+]1CCCS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.63 |
| logD: | 4.63 |
| logSw: | -4.5465 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.234 |
| InChI Key: | WFOZDOAPFILHGD-UHFFFAOYSA-N |