3-({[(4-fluorophenyl)methyl](methoxyacetyl)amino}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({[(4-fluorophenyl)methyl](methoxyacetyl)amino}methyl)phenyl ethanesulfonate
3-({[(4-fluorophenyl)methyl](methoxyacetyl)amino}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-0566 |
| Compound Name: | 3-({[(4-fluorophenyl)methyl](methoxyacetyl)amino}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 395.45 |
| Molecular Formula: | C19 H22 F N O5 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(Cc2ccc(cc2)F)C(COC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.9251 |
| logD: | 1.9251 |
| logSw: | -2.5065 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.455 |
| InChI Key: | BRVHJLPLDRWEAY-UHFFFAOYSA-N |