2-(2-{4-[ethyl(4-methoxyphenyl)amino]phenyl}ethenyl)-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
2-(2-{4-[ethyl(4-methoxyphenyl)amino]phenyl}ethenyl)-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
2-(2-{4-[ethyl(4-methoxyphenyl)amino]phenyl}ethenyl)-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 7165-0012 |
| Compound Name: | 2-(2-{4-[ethyl(4-methoxyphenyl)amino]phenyl}ethenyl)-3-methyl-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 528.45 |
| Molecular Formula: | C25 H25 N2 O S |
| Salt: | I- |
| Smiles: | CCN(c1ccc(/C=C/c2[n+](C)c3ccccc3s2)cc1)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.4154 |
| logD: | 6.411 |
| logSw: | -5.9762 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 11.5137 |
| InChI Key: | HJPNFAIXWFLQBK-UHFFFAOYSA-N |