2-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethyl-6-methoxyquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethyl-6-methoxyquinolin-1-ium--iodide (1/1)
2-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethyl-6-methoxyquinolin-1-ium--iodide (1/1)
Compound characteristics
Compound ID: | 7165-0057 |
Compound Name: | 2-[(3,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-ethyl-6-methoxyquinolin-1-ium--iodide (1/1) |
Molecular Weight: | 490.41 |
Molecular Formula: | C22 H23 N2 O S |
Salt: | I- |
Smiles: | CC[n+]1c(/C=C2/N(C)c3ccc(C)cc3S2)ccc2cc(ccc12)OC |
Stereo: | ACHIRAL |
logP: | 5.8545 |
logD: | 5.8545 |
logSw: | -5.7745 |
Hydrogen bond acceptors count: | 2 |
Polar surface area: | 8.8736 |
InChI Key: | LYOVKFODOANUGD-UHFFFAOYSA-N |