1-ethyl-2-[(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-ethyl-2-[(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methylquinolin-1-ium--iodide (1/1)
1-ethyl-2-[(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4890-0272 |
| Compound Name: | 1-ethyl-2-[(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 502.46 |
| Molecular Formula: | C24 H27 N2 S |
| Salt: | I- |
| Smiles: | CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CC)Sc2c(C)cc(C)cc12 |
| Stereo: | ACHIRAL |
| logP: | 7.3032 |
| logD: | 7.3032 |
| logSw: | -6.0134 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 1.2889 |
| InChI Key: | HIVGZDCCTNTXSE-UHFFFAOYSA-N |