1-(2-anilino-2-oxoethyl)-3-(phenylcarbamoyl)pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(2-anilino-2-oxoethyl)-3-(phenylcarbamoyl)pyridin-1-ium--bromide (1/1)
1-(2-anilino-2-oxoethyl)-3-(phenylcarbamoyl)pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0986-0022 |
| Compound Name: | 1-(2-anilino-2-oxoethyl)-3-(phenylcarbamoyl)pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 412.28 |
| Molecular Formula: | C20 H18 N3 O2 |
| Salt: | Br- |
| Smiles: | C(C(Nc1ccccc1)=O)[n+]1cccc(c1)C(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9329 |
| logD: | 2.9328 |
| logSw: | -3.2412 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.165 |
| InChI Key: | WTNTXPHPSUNMPF-UHFFFAOYSA-O |