2-[(6-acetamido-3-butyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(6-acetamido-3-butyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethylquinolin-1-ium--iodide (1/1)
2-[(6-acetamido-3-butyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4890-0282 |
| Compound Name: | 2-[(6-acetamido-3-butyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 545.49 |
| Molecular Formula: | C25 H28 N3 O S |
| Salt: | I- |
| Smiles: | CCCCN1/C(=C/c2ccc3ccccc3[n+]2CC)Sc2cc(ccc12)NC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2093 |
| logD: | 6.2093 |
| logSw: | -6.1787 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.8045 |
| InChI Key: | BKJKKYOQFLUKGS-UHFFFAOYSA-O |