3-carbamoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-carbamoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium--bromide (1/1)
3-carbamoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0643-0080 |
| Compound Name: | 3-carbamoyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 321.17 |
| Molecular Formula: | C14 H13 N2 O2 |
| Salt: | Br- |
| Smiles: | C(C(c1ccccc1)=O)[n+]1cccc(c1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8644 |
| logD: | 0.8644 |
| logSw: | -1.2508 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.23 |
| InChI Key: | ZZXOVAMRYINPPB-UHFFFAOYSA-O |