2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-pentylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-pentylquinolin-1-ium--iodide (1/1)
2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-pentylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4890-0290 |
| Compound Name: | 2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-pentylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 502.46 |
| Molecular Formula: | C24 H27 N2 S |
| Salt: | I- |
| Smiles: | CCCCC[n+]1c(/C=C2/N(CC)c3ccccc3S2)ccc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 7.1732 |
| logD: | 7.1732 |
| logSw: | -6.4642 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 1.5425 |
| InChI Key: | HBAYXTAEKCUJFO-UHFFFAOYSA-N |