4-({[(4-fluorophenyl)methyl][(thiophen-2-yl)acetyl]amino}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({[(4-fluorophenyl)methyl][(thiophen-2-yl)acetyl]amino}methyl)phenyl ethanesulfonate
4-({[(4-fluorophenyl)methyl][(thiophen-2-yl)acetyl]amino}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V012-4409 |
| Compound Name: | 4-({[(4-fluorophenyl)methyl][(thiophen-2-yl)acetyl]amino}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H22 F N O4 S2 |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(cc2)F)C(Cc2cccs2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5484 |
| logD: | 3.5484 |
| logSw: | -3.5952 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.778 |
| InChI Key: | WBJCNRWYCWSUMU-UHFFFAOYSA-N |