3-ethyl-4,6-dimethyl-2-{[7-methyl-1-(prop-2-en-1-yl)quinolin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-ethyl-4,6-dimethyl-2-{[7-methyl-1-(prop-2-en-1-yl)quinolin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
3-ethyl-4,6-dimethyl-2-{[7-methyl-1-(prop-2-en-1-yl)quinolin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7771-0762 |
| Compound Name: | 3-ethyl-4,6-dimethyl-2-{[7-methyl-1-(prop-2-en-1-yl)quinolin-2(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 514.47 |
| Molecular Formula: | C25 H27 N2 S |
| Salt: | I- |
| Smiles: | CC[n+]1c2c(C)cc(C)cc2sc1\C=C1/C=Cc2ccc(C)cc2N1CC=C |
| Stereo: | ACHIRAL |
| logP: | 7.7112 |
| logD: | 7.7112 |
| logSw: | -5.757 |
| Polar surface area: | 1.8042 |
| InChI Key: | DYIOLORJCZYXGC-UHFFFAOYSA-N |