5-methoxy-3-methyl-2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
5-methoxy-3-methyl-2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium--iodide (1/1)
5-methoxy-3-methyl-2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
Compound ID: | 6253-0527 |
Compound Name: | 5-methoxy-3-methyl-2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium--iodide (1/1) |
Molecular Weight: | 454.28 |
Molecular Formula: | C17 H15 N2 O3 S |
Salt: | I- |
Smiles: | C[n+]1c2cc(ccc2sc1/C=C/c1cccc(c1)[N+]([O-])=O)OC |
Stereo: | ACHIRAL |
logP: | 4.4632 |
logD: | 4.4632 |
logSw: | -4.5556 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 42.744 |
InChI Key: | WMSQWSIETZBRLJ-RMKNXTFCSA-N |