3-ethyl-2-({3-[(2-ethyl-7-methylisoquinolin-1(2H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl)-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
3-ethyl-2-({3-[(2-ethyl-7-methylisoquinolin-1(2H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl)-1,3-benzothiazol-3-ium--iodide (1/1)
3-ethyl-2-({3-[(2-ethyl-7-methylisoquinolin-1(2H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl)-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7527-0160 |
| Compound Name: | 3-ethyl-2-({3-[(2-ethyl-7-methylisoquinolin-1(2H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl)-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 594.6 |
| Molecular Formula: | C31 H35 N2 S |
| Salt: | I- |
| Smiles: | CCN1C=Cc2ccc(C)cc2/C1=C\C1CC(C)(C)C/C(C=1)=C\c1[n+](CC)c2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 8.3061 |
| logD: | 8.3018 |
| logSw: | -6.1133 |
| Polar surface area: | 1.859 |
| InChI Key: | RQWFJMLPZRWGPN-UHFFFAOYSA-N |