2-{[acetyl(butan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[acetyl(butan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
2-{[acetyl(butan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V002-1450 |
| Compound Name: | 2-{[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(Cc1ccccc1OS(c1ccc(cc1)F)(=O)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7794 |
| logD: | 3.7794 |
| logSw: | -3.9017 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.365 |
| InChI Key: | VKDYBCUNBUPZFG-AWEZNQCLSA-N |