1-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methylquinolin-1-ium--iodide (1/1)
1-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7165-0052 |
| Compound Name: | 1-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 490.41 |
| Molecular Formula: | C22 H23 N2 O S |
| Salt: | I- |
| Smiles: | CC[n+]1c(/C=C2/N(C)c3ccc(cc3S2)OC)ccc2cc(C)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.9348 |
| logD: | 5.9348 |
| logSw: | -5.7958 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 8.8736 |
| InChI Key: | RHPVOIRKDVEKBA-UHFFFAOYSA-N |