2-[(6-acetamido-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-pentylquinolin-1-ium
Chemical Structure Depiction of
2-[(6-acetamido-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-pentylquinolin-1-ium
2-[(6-acetamido-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-pentylquinolin-1-ium
Compound characteristics
| Compound ID: | 4890-0291 |
| Compound Name: | 2-[(6-acetamido-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-pentylquinolin-1-ium |
| Molecular Weight: | 559.51 |
| Molecular Formula: | C26 H30 N3 O S |
| Salt: | I- |
| Smiles: | CCCCC[n+]1c(/C=C2/N(CC)c3ccc(cc3S2)NC(C)=O)ccc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.7687 |
| logD: | 6.7687 |
| logSw: | -6.2429 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.8045 |
| InChI Key: | WSBYCXBTFZXTEX-UHFFFAOYSA-O |