2-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-(prop-2-en-1-yl)quinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-(prop-2-en-1-yl)quinolin-1-ium--iodide (1/1)
2-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-(prop-2-en-1-yl)quinolin-1-ium--iodide (1/1)
Compound characteristics
Compound ID: | 7771-0671 |
Compound Name: | 2-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-(prop-2-en-1-yl)quinolin-1-ium--iodide (1/1) |
Molecular Weight: | 486.42 |
Molecular Formula: | C23 H23 N2 S |
Salt: | I- |
Smiles: | CCN1/C(=C/c2ccc3ccccc3[n+]2CC=C)Sc2cc(C)ccc12 |
Stereo: | ACHIRAL |
logP: | 6.446 |
logD: | 6.446 |
logSw: | -6.4729 |
Hydrogen bond acceptors count: | 1 |
Polar surface area: | 1.5425 |
InChI Key: | HAAIGMUSKWXVFZ-UHFFFAOYSA-N |