2-[(6-acetamido-3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(6-acetamido-3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethylquinolin-1-ium--iodide (1/1)
2-[(6-acetamido-3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4400-0092 |
| Compound Name: | 2-[(6-acetamido-3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 503.4 |
| Molecular Formula: | C22 H22 N3 O S |
| Salt: | I- |
| Smiles: | CC[n+]1c(/C=C2/N(C)c3ccc(cc3S2)NC(C)=O)ccc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.726 |
| logD: | 4.726 |
| logSw: | -5.0905 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.5918 |
| InChI Key: | GZYOWTWOWNNXLK-UHFFFAOYSA-O |