1-[2-(4-bromophenyl)-2-oxoethyl]-3-carbamoylpyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(4-bromophenyl)-2-oxoethyl]-3-carbamoylpyridin-1-ium--bromide (1/1)
1-[2-(4-bromophenyl)-2-oxoethyl]-3-carbamoylpyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 8004-5256 |
| Compound Name: | 1-[2-(4-bromophenyl)-2-oxoethyl]-3-carbamoylpyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 400.07 |
| Molecular Formula: | C14 H12 Br N2 O2 |
| Salt: | Br- |
| Smiles: | C(C(c1ccc(cc1)[Br])=O)[n+]1cccc(c1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8033 |
| logD: | 1.8033 |
| logSw: | -2.0861 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.23 |
| InChI Key: | ILBSOSPYPYAOSQ-UHFFFAOYSA-O |