4-chloro-2-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4752 |
| Compound Name: | 4-chloro-2-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 545.96 |
| Molecular Formula: | C27 H19 Cl F3 N O4 S |
| Smiles: | C(c1ccc(cc1)F)N(Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.898 |
| logD: | 5.898 |
| logSw: | -6.1674 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.026 |
| InChI Key: | XXMRSDCUZUGXMY-UHFFFAOYSA-N |