6-acetamido-1-ethyl-2-[(3-pentyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
6-acetamido-1-ethyl-2-[(3-pentyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium--iodide (1/1)
6-acetamido-1-ethyl-2-[(3-pentyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4890-0277 |
| Compound Name: | 6-acetamido-1-ethyl-2-[(3-pentyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 559.51 |
| Molecular Formula: | C26 H30 N3 O S |
| Salt: | I- |
| Smiles: | CCCCCN1/C(=C/c2ccc3cc(ccc3[n+]2CC)NC(C)=O)Sc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.6472 |
| logD: | 6.6472 |
| logSw: | -5.7762 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.8045 |
| InChI Key: | SNBNUWJQBJCXDR-UHFFFAOYSA-O |