4-({[(4-fluorophenyl)acetyl][(furan-2-yl)methyl]amino}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({[(4-fluorophenyl)acetyl][(furan-2-yl)methyl]amino}methyl)phenyl ethanesulfonate
4-({[(4-fluorophenyl)acetyl][(furan-2-yl)methyl]amino}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-5164 |
| Compound Name: | 4-({[(4-fluorophenyl)acetyl][(furan-2-yl)methyl]amino}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 431.48 |
| Molecular Formula: | C22 H22 F N O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(Cc2ccc(cc2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5276 |
| logD: | 3.5276 |
| logSw: | -3.6214 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.508 |
| InChI Key: | LGIWOROFHGIKQZ-UHFFFAOYSA-N |