3-{[acetyl(propan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[acetyl(propan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[acetyl(propan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-4775 |
| Compound Name: | 3-{[acetyl(propan-2-yl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 365.42 |
| Molecular Formula: | C18 H20 F N O4 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0709 |
| logD: | 3.0709 |
| logSw: | -3.3767 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.694 |
| InChI Key: | LBVCDVKWUJTHQA-UHFFFAOYSA-N |