2-{[3-ethyl-5-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]methyl}-1,6-dimethylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-{[3-ethyl-5-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]methyl}-1,6-dimethylquinolin-1-ium--iodide (1/1)
2-{[3-ethyl-5-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]methyl}-1,6-dimethylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7165-0458 |
| Compound Name: | 2-{[3-ethyl-5-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]methyl}-1,6-dimethylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 500.44 |
| Molecular Formula: | C24 H25 N2 S |
| Salt: | I- |
| Smiles: | CCN1C=C(c2ccc(C)cc2)SC/1=C/c1ccc2cc(C)ccc2[n+]1C |
| Stereo: | ACHIRAL |
| logP: | 6.3879 |
| logD: | 6.3876 |
| logSw: | -5.9266 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 3.2333 |
| InChI Key: | MQOKJAWHWCYMLT-UHFFFAOYSA-N |