3-{2-[(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-7-methylquinolin-1(2H)-yl}propane-1-sulfonate
Chemical Structure Depiction of
3-{2-[(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-7-methylquinolin-1(2H)-yl}propane-1-sulfonate
3-{2-[(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-7-methylquinolin-1(2H)-yl}propane-1-sulfonate
Compound characteristics
| Compound ID: | 7165-0064 |
| Compound Name: | 3-{2-[(3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-7-methylquinolin-1(2H)-yl}propane-1-sulfonate |
| Molecular Weight: | 454.61 |
| Molecular Formula: | C24 H26 N2 O3 S2 |
| Smiles: | CC[n+]1c2ccc(C)cc2sc1\C=C1/C=Cc2ccc(C)cc2N1CCCS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7323 |
| logD: | 4.7323 |
| logSw: | -4.4409 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.088 |
| InChI Key: | LDTPUVVPGZIUKZ-UHFFFAOYSA-N |