3-{2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate

Chemical Structure Depiction of
3-{2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate
Available: 54 mg
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mg
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Compound characteristics

Compound ID: 7165-0222
Compound Name: 3-{2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-5-methyl-1,3-benzothiazol-3(2H)-yl}propane-1-sulfonate
Molecular Weight: 454.61
Molecular Formula: C24 H26 N2 O3 S2
Smiles: CC[n+]1c(\C=C2/N(CCCS([O-])(=O)=O)c3cc(C)ccc3S2)ccc2cc(C)ccc12
Stereo: ACHIRAL
logP: 4.5115
logD: 4.5115
logSw: -4.3535
Hydrogen bond acceptors count: 6
Polar surface area: 44.602
InChI Key: WZUVGBPLPGVISO-UHFFFAOYSA-N
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