ethyl N-[(2-fluorophenyl)methyl]-N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(2-fluorophenyl)methyl]-N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
ethyl N-[(2-fluorophenyl)methyl]-N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | K783-3522 |
| Compound Name: | ethyl N-[(2-fluorophenyl)methyl]-N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 379.45 |
| Molecular Formula: | C19 H22 F N O4 S |
| Smiles: | CCOC(CCN(Cc1ccccc1F)S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1257 |
| logD: | 4.1257 |
| logSw: | -3.9495 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.751 |
| InChI Key: | XJIQKRORDPFFRY-UHFFFAOYSA-N |