4-(1,3-benzoxazol-2-yl)-1-hexadecylpyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
4-(1,3-benzoxazol-2-yl)-1-hexadecylpyridin-1-ium--iodide (1/1)
4-(1,3-benzoxazol-2-yl)-1-hexadecylpyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 0141-0255 |
| Compound Name: | 4-(1,3-benzoxazol-2-yl)-1-hexadecylpyridin-1-ium--iodide (1/1) |
| Molecular Weight: | 548.55 |
| Molecular Formula: | C28 H41 N2 O |
| Salt: | I- |
| Smiles: | CCCCCCCCCCCCCCCC[n+]1ccc(cc1)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 10.185 |
| logD: | 10.185 |
| logSw: | -6.0803 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 20.0912 |
| InChI Key: | LFBJYKIPDPNFKB-UHFFFAOYSA-N |