1-[2-(benzylamino)-2-oxoethyl]-4-(benzylcarbamoyl)pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[2-(benzylamino)-2-oxoethyl]-4-(benzylcarbamoyl)pyridin-1-ium--chloride (1/1)
1-[2-(benzylamino)-2-oxoethyl]-4-(benzylcarbamoyl)pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | C200-9247 |
| Compound Name: | 1-[2-(benzylamino)-2-oxoethyl]-4-(benzylcarbamoyl)pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 395.89 |
| Molecular Formula: | C22 H22 N3 O2 |
| Salt: | Cl- |
| Smiles: | C(c1ccccc1)NC(C[n+]1ccc(cc1)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4463 |
| logD: | 2.4462 |
| logSw: | -2.5886 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.916 |
| InChI Key: | OAWFWEQKZSJOQD-UHFFFAOYSA-O |