1-ethyl-2-{[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-6-methylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-ethyl-2-{[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-6-methylquinolin-1-ium--iodide (1/1)
1-ethyl-2-{[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-6-methylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4400-0039 |
| Compound Name: | 1-ethyl-2-{[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-6-methylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 490.41 |
| Molecular Formula: | C22 H23 N2 O S |
| Salt: | I- |
| Smiles: | CC[n+]1c(/C=C2/N(CCO)c3ccccc3S2)ccc2cc(C)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.1874 |
| logD: | 5.1874 |
| logSw: | -5.2665 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 18.1981 |
| InChI Key: | ABWOICJNNKQYRS-UHFFFAOYSA-N |