1-ethyl-2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-7-methylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-ethyl-2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-7-methylquinolin-1-ium--iodide (1/1)
1-ethyl-2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-7-methylquinolin-1-ium--iodide (1/1)
Compound characteristics
Compound ID: | 7165-0016 |
Compound Name: | 1-ethyl-2-[(3-ethyl-5-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-7-methylquinolin-1-ium--iodide (1/1) |
Molecular Weight: | 488.43 |
Molecular Formula: | C23 H25 N2 S |
Salt: | I- |
Smiles: | CCN1/C(=C/c2ccc3ccc(C)cc3[n+]2CC)Sc2ccc(C)cc12 |
Stereo: | ACHIRAL |
logP: | 6.6938 |
logD: | 6.6938 |
logSw: | -6.0355 |
Hydrogen bond acceptors count: | 1 |
Polar surface area: | 1.2889 |
InChI Key: | CKJWHUJWOMXPAX-UHFFFAOYSA-N |