1-[2-(dibenzylamino)-2-oxoethyl]-4-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[2-(dibenzylamino)-2-oxoethyl]-4-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
1-[2-(dibenzylamino)-2-oxoethyl]-4-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 0134-0076 |
| Compound Name: | 1-[2-(dibenzylamino)-2-oxoethyl]-4-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 395.89 |
| Molecular Formula: | C22 H22 N3 O2 |
| Salt: | Cl- |
| Smiles: | C(c1ccccc1)N(Cc1ccccc1)C(C[n+]1ccc(/C=N/O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.029 |
| logD: | 3.0286 |
| logSw: | -3.0311 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.73 |
| InChI Key: | APXNXSVJZCIRGF-UHFFFAOYSA-O |