4-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-1764 |
| Compound Name: | 4-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 561.53 |
| Molecular Formula: | C28 H20 F5 N O4 S |
| Smiles: | C(c1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)N(Cc1ccc(cc1)F)C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.748 |
| logD: | 5.748 |
| logSw: | -6.0681 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.939 |
| InChI Key: | OHANNSYXHZWMTR-UHFFFAOYSA-N |