2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-(2-hydroxyethyl)-6-methylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-(2-hydroxyethyl)-6-methylquinolin-1-ium--iodide (1/1)
2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-(2-hydroxyethyl)-6-methylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4400-0057 |
| Compound Name: | 2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-(2-hydroxyethyl)-6-methylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 490.41 |
| Molecular Formula: | C22 H23 N2 O S |
| Salt: | I- |
| Smiles: | CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CCO)Sc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.2978 |
| logD: | 5.2978 |
| logSw: | -5.5382 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 18.1981 |
| InChI Key: | UJCRWEQTONDLPB-UHFFFAOYSA-N |