1-[2-(4-benzamidophenyl)-2-oxoethyl]-4-cyanopyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(4-benzamidophenyl)-2-oxoethyl]-4-cyanopyridin-1-ium--bromide (1/1)
1-[2-(4-benzamidophenyl)-2-oxoethyl]-4-cyanopyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0557-0492 |
| Compound Name: | 1-[2-(4-benzamidophenyl)-2-oxoethyl]-4-cyanopyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 422.28 |
| Molecular Formula: | C21 H16 N3 O2 |
| Salt: | Br- |
| Smiles: | C(C(c1ccc(cc1)NC(c1ccccc1)=O)=O)[n+]1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.652 |
| logD: | 2.6437 |
| logSw: | -3.1908 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.425 |
| InChI Key: | OHEZMUDSQAIWRE-UHFFFAOYSA-O |