ethyl N-[(2-fluorophenyl)methyl]-beta-alaninate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl N-[(2-fluorophenyl)methyl]-beta-alaninate--hydrogen chloride (1/1)
ethyl N-[(2-fluorophenyl)methyl]-beta-alaninate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K783-2958 |
| Compound Name: | ethyl N-[(2-fluorophenyl)methyl]-beta-alaninate--hydrogen chloride (1/1) |
| Molecular Weight: | 261.72 |
| Molecular Formula: | C12 H16 F N O2 |
| Salt: | HCl |
| Smiles: | CCOC(CCNCc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7256 |
| logD: | 1.0027 |
| logSw: | -1.9864 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.276 |
| InChI Key: | UGFKGAYATQLNIJ-UHFFFAOYSA-N |