1-ethyl-2-[(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-4-methylquinolin-1-ium
Chemical Structure Depiction of
1-ethyl-2-[(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-4-methylquinolin-1-ium
1-ethyl-2-[(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-4-methylquinolin-1-ium
Compound characteristics
| Compound ID: | 7771-0542 |
| Compound Name: | 1-ethyl-2-[(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-4-methylquinolin-1-ium |
| Molecular Weight: | 502.46 |
| Molecular Formula: | C24 H27 N2 S |
| Salt: | I- |
| Smiles: | CCN1/C(=C/c2cc(C)c3ccccc3[n+]2CC)Sc2cc(C)cc(C)c12 |
| Stereo: | ACHIRAL |
| logP: | 7.549 |
| logD: | 7.549 |
| logSw: | -5.9087 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 2.4461 |
| InChI Key: | JZVHHOWMMBCPEL-UHFFFAOYSA-N |