ethyl N-[(2,6-dichlorophenyl)methyl]-N-(4-fluoro-3-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(2,6-dichlorophenyl)methyl]-N-(4-fluoro-3-methylbenzene-1-sulfonyl)-beta-alaninate
ethyl N-[(2,6-dichlorophenyl)methyl]-N-(4-fluoro-3-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | K783-1444 |
| Compound Name: | ethyl N-[(2,6-dichlorophenyl)methyl]-N-(4-fluoro-3-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 448.34 |
| Molecular Formula: | C19 H20 Cl2 F N O4 S |
| Smiles: | CCOC(CCN(Cc1c(cccc1[Cl])[Cl])S(c1ccc(c(C)c1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1141 |
| logD: | 5.1141 |
| logSw: | -5.5261 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.751 |
| InChI Key: | WQSCCLQPRLSZLK-UHFFFAOYSA-N |