6-acetamido-3-ethyl-2-[(1-ethyl-6-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
6-acetamido-3-ethyl-2-[(1-ethyl-6-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1)
6-acetamido-3-ethyl-2-[(1-ethyl-6-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 3853-0125 |
| Compound Name: | 6-acetamido-3-ethyl-2-[(1-ethyl-6-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 531.46 |
| Molecular Formula: | C24 H26 N3 O S |
| Salt: | I- |
| Smiles: | CCN1C(\C=Cc2cc(C)ccc12)=C\c1[n+](CC)c2ccc(cc2s1)NC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8102 |
| logD: | 5.8102 |
| logSw: | -5.3927 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.0365 |
| InChI Key: | LKYBBLNVVABHAR-UHFFFAOYSA-O |