3-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl ethanesulfonate
3-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-5157 |
| Compound Name: | 3-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C23 H21 F2 N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(Cc2ccc(cc2)F)C(c2cccc(c2)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7671 |
| logD: | 3.7671 |
| logSw: | -3.9611 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.287 |
| InChI Key: | MWXIRRQLZWXTIC-UHFFFAOYSA-N |