6-acetamido-3-ethyl-2-{2-[methyl(phenyl)amino]ethenyl}-1,3-benzothiazol-3-ium--iodide (1/1)
Chemical Structure Depiction of
6-acetamido-3-ethyl-2-{2-[methyl(phenyl)amino]ethenyl}-1,3-benzothiazol-3-ium--iodide (1/1)
6-acetamido-3-ethyl-2-{2-[methyl(phenyl)amino]ethenyl}-1,3-benzothiazol-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 0898-0008 |
| Compound Name: | 6-acetamido-3-ethyl-2-{2-[methyl(phenyl)amino]ethenyl}-1,3-benzothiazol-3-ium--iodide (1/1) |
| Molecular Weight: | 479.38 |
| Molecular Formula: | C20 H22 N3 O S |
| Salt: | I- |
| Smiles: | CC[n+]1c2ccc(cc2sc1/C=C/N(C)c1ccccc1)NC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5381 |
| logD: | 3.5381 |
| logSw: | -3.7529 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.8323 |
| InChI Key: | TZSDPPHCFZUHJO-UHFFFAOYSA-O |