1-ethyl-2-[(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-7-methylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-ethyl-2-[(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-7-methylquinolin-1-ium--iodide (1/1)
1-ethyl-2-[(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-7-methylquinolin-1-ium--iodide (1/1)
Compound characteristics
Compound ID: | 4890-0286 |
Compound Name: | 1-ethyl-2-[(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-7-methylquinolin-1-ium--iodide (1/1) |
Molecular Weight: | 502.46 |
Molecular Formula: | C24 H27 N2 S |
Salt: | I- |
Smiles: | CCN1/C(=C/c2ccc3ccc(C)cc3[n+]2CC)Sc2cc(C)c(C)cc12 |
Stereo: | ACHIRAL |
logP: | 7.242 |
logD: | 7.242 |
logSw: | -6.0297 |
Hydrogen bond acceptors count: | 1 |
Polar surface area: | 1.2889 |
InChI Key: | ULOWSYAFGWFHPL-UHFFFAOYSA-N |