6-acetamido-1-ethyl-2-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
6-acetamido-1-ethyl-2-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium--iodide (1/1)
6-acetamido-1-ethyl-2-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4890-0280 |
| Compound Name: | 6-acetamido-1-ethyl-2-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 531.46 |
| Molecular Formula: | C24 H26 N3 O S |
| Salt: | I- |
| Smiles: | CCN1/C(=C/c2ccc3cc(ccc3[n+]2CC)NC(C)=O)Sc2cc(C)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.6202 |
| logD: | 5.6202 |
| logSw: | -5.6089 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.5508 |
| InChI Key: | RDANMAUBVWJBOC-UHFFFAOYSA-O |