ethyl N-[(2,6-dichlorophenyl)methyl]-beta-alaninate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl N-[(2,6-dichlorophenyl)methyl]-beta-alaninate--hydrogen chloride (1/1)
ethyl N-[(2,6-dichlorophenyl)methyl]-beta-alaninate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K783-1091 |
| Compound Name: | ethyl N-[(2,6-dichlorophenyl)methyl]-beta-alaninate--hydrogen chloride (1/1) |
| Molecular Weight: | 312.62 |
| Molecular Formula: | C12 H15 Cl2 N O2 |
| Salt: | HCl |
| Smiles: | CCOC(CCNCc1c(cccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6432 |
| logD: | 2.3793 |
| logSw: | -3.2136 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.276 |
| InChI Key: | PIYTYRAEAHRFJS-UHFFFAOYSA-N |