5-(diethylamino)-2-({[(4-fluorophenyl)methyl](methoxyacetyl)amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({[(4-fluorophenyl)methyl](methoxyacetyl)amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-({[(4-fluorophenyl)methyl](methoxyacetyl)amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2000 |
| Compound Name: | 5-(diethylamino)-2-({[(4-fluorophenyl)methyl](methoxyacetyl)amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 582.61 |
| Molecular Formula: | C28 H30 F4 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(Cc2ccc(cc2)F)C(COC)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9365 |
| logD: | 4.9258 |
| logSw: | -4.8823 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.93 |
| InChI Key: | WEKZLPVCICXKAD-UHFFFAOYSA-N |