4-amino-2,3-dimethyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
4-amino-2,3-dimethyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium--bromide (1/1)
4-amino-2,3-dimethyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0813-0032 |
| Compound Name: | 4-amino-2,3-dimethyl-1-(2-oxo-2-phenylethyl)pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 321.21 |
| Molecular Formula: | C15 H17 N2 O |
| Salt: | Br- |
| Smiles: | Cc1c(cc[n+](CC(c2ccccc2)=O)c1C)N |
| Stereo: | ACHIRAL |
| logP: | 1.9661 |
| logD: | 1.9661 |
| logSw: | -2.2212 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 34.899 |
| InChI Key: | QHCWAWJTZYXXPU-UHFFFAOYSA-O |