3-ethyl-2-({3-[(2-ethylisoquinolin-1(2H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl)-5-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-ethyl-2-({3-[(2-ethylisoquinolin-1(2H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl)-5-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
3-ethyl-2-({3-[(2-ethylisoquinolin-1(2H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl)-5-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7527-0158 |
| Compound Name: | 3-ethyl-2-({3-[(2-ethylisoquinolin-1(2H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl)-5-methyl-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 594.6 |
| Molecular Formula: | C31 H35 N2 S |
| Salt: | I- |
| Smiles: | CCN1C=Cc2ccccc2/C1=C\C1CC(C)(C)C/C(C=1)=C\c1[n+](CC)c2cc(C)ccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 8.1126 |
| logD: | 8.1112 |
| logSw: | -6.0627 |
| Polar surface area: | 1.859 |
| InChI Key: | CVDQNHKBSJSJTJ-UHFFFAOYSA-N |