ethyl N-[(2-fluorophenyl)methyl]-N-(2,3,4,5,6-pentafluorobenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-[(2-fluorophenyl)methyl]-N-(2,3,4,5,6-pentafluorobenzene-1-sulfonyl)-beta-alaninate
ethyl N-[(2-fluorophenyl)methyl]-N-(2,3,4,5,6-pentafluorobenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | K783-3523 |
| Compound Name: | ethyl N-[(2-fluorophenyl)methyl]-N-(2,3,4,5,6-pentafluorobenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 455.37 |
| Molecular Formula: | C18 H15 F6 N O4 S |
| Smiles: | CCOC(CCN(Cc1ccccc1F)S(c1c(c(c(c(c1F)F)F)F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0638 |
| logD: | 4.0638 |
| logSw: | -3.898 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.751 |
| InChI Key: | OLJFCWLKKWWJHD-UHFFFAOYSA-N |