1-ethyl-2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]-7-methylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-ethyl-2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]-7-methylquinolin-1-ium--iodide (1/1)
1-ethyl-2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]-7-methylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4890-0274 |
| Compound Name: | 1-ethyl-2-[(3-ethyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]-7-methylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 504.43 |
| Molecular Formula: | C23 H25 N2 O S |
| Salt: | I- |
| Smiles: | CCN1/C(=C/c2ccc3ccc(C)cc3[n+]2CC)Sc2cc(ccc12)OC |
| Stereo: | ACHIRAL |
| logP: | 6.3271 |
| logD: | 6.3271 |
| logSw: | -5.856 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 8.8327 |
| InChI Key: | XJJAOKMLOHICHF-UHFFFAOYSA-N |