5-[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]-2-methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
5-[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]-2-methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium--bromide (1/1)
5-[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]-2-methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 1595-0044 |
| Compound Name: | 5-[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]-2-methyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 516.5 |
| Molecular Formula: | C26 H30 N O3 S |
| Salt: | Br- |
| Smiles: | Cc1ccc(CCS(c2ccc(cc2)C(C)(C)C)(=O)=O)c[n+]1CC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9898 |
| logD: | 4.9898 |
| logSw: | -4.503 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.685 |
| InChI Key: | HKVBDXHFZPAQHN-UHFFFAOYSA-N |