1-benzyl-5-(ethoxycarbonyl)-2-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-benzyl-5-(ethoxycarbonyl)-2-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
1-benzyl-5-(ethoxycarbonyl)-2-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 3843-0459 |
| Compound Name: | 1-benzyl-5-(ethoxycarbonyl)-2-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 320.77 |
| Molecular Formula: | C16 H17 N2 O3 |
| Salt: | Cl- |
| Smiles: | CCOC(c1ccc(/C=N/O)[n+](Cc2ccccc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3566 |
| logD: | 3.3566 |
| logSw: | -3.1244 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.952 |
| InChI Key: | WTMDIYWWMOBGAI-UHFFFAOYSA-O |