2-{[5-chloro-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-ethyl-6-methylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-{[5-chloro-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-ethyl-6-methylquinolin-1-ium--iodide (1/1)
2-{[5-chloro-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-ethyl-6-methylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7771-0731 |
| Compound Name: | 2-{[5-chloro-3-(prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-1-ethyl-6-methylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 520.86 |
| Molecular Formula: | C23 H22 Cl N2 S |
| Salt: | I- |
| Smiles: | CC[n+]1c(/C=C2/N(CC=C)c3cc(ccc3S2)[Cl])ccc2cc(C)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 7.1319 |
| logD: | 7.1319 |
| logSw: | -6.5034 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 1.5425 |
| InChI Key: | AUTUVYXYOPKLCH-UHFFFAOYSA-N |