2-[(6-acetamido-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethyl-7-methoxyquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(6-acetamido-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethyl-7-methoxyquinolin-1-ium--iodide (1/1)
2-[(6-acetamido-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethyl-7-methoxyquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4890-0289 |
| Compound Name: | 2-[(6-acetamido-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethyl-7-methoxyquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 547.46 |
| Molecular Formula: | C24 H26 N3 O2 S |
| Salt: | I- |
| Smiles: | CCN1/C(=C/c2ccc3ccc(cc3[n+]2CC)OC)Sc2cc(ccc12)NC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3201 |
| logD: | 5.3201 |
| logSw: | -5.5342 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.095 |
| InChI Key: | ZMZUDHUTQQMUAD-UHFFFAOYSA-O |