3-benzamido-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-benzamido-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
3-benzamido-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0327-0304 |
| Compound Name: | 3-benzamido-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 442.27 |
| Molecular Formula: | C20 H16 N3 O4 |
| Salt: | Br- |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)[n+]1cccc(c1)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.137 |
| logD: | 3.1369 |
| logSw: | -3.3827 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.644 |
| InChI Key: | RWBCZFXOWUYPOD-UHFFFAOYSA-O |