4-chloro-2-({[(4-fluorophenyl)methyl](methoxyacetyl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({[(4-fluorophenyl)methyl](methoxyacetyl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-({[(4-fluorophenyl)methyl](methoxyacetyl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
Compound ID: | V005-4629 |
Compound Name: | 4-chloro-2-({[(4-fluorophenyl)methyl](methoxyacetyl)amino}methyl)phenyl 4-fluorobenzene-1-sulfonate |
Molecular Weight: | 495.93 |
Molecular Formula: | C23 H20 Cl F2 N O5 S |
Smiles: | COCC(N(Cc1ccc(cc1)F)Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.056 |
logD: | 4.056 |
logSw: | -4.426 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 60.194 |
InChI Key: | IZEKRFQQOVMUKD-UHFFFAOYSA-N |