3-{[acetyl(butan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[acetyl(butan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[acetyl(butan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1149 |
| Compound Name: | 3-{[acetyl(butan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 379.45 |
| Molecular Formula: | C19 H22 F N O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5351 |
| logD: | 3.5351 |
| logSw: | -3.7543 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.279 |
| InChI Key: | HTFBKIAGORGKLW-AWEZNQCLSA-N |