2-{[acetyl(butan-2-yl)amino]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[acetyl(butan-2-yl)amino]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
2-{[acetyl(butan-2-yl)amino]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-3304 |
| Compound Name: | 2-{[acetyl(butan-2-yl)amino]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C20 H24 F N O5 S |
| Smiles: | CCC(C)N(Cc1ccccc1OS(c1ccc(c(c1)F)OC)(=O)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7057 |
| logD: | 3.7057 |
| logSw: | -3.9771 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.996 |
| InChI Key: | MVZQQOIRPIGXNQ-AWEZNQCLSA-N |