3-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl ethanesulfonate
3-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-1822 |
| Compound Name: | 3-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 461.94 |
| Molecular Formula: | C23 H21 Cl F N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(Cc2ccc(cc2)F)C(c2ccccc2[Cl])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1424 |
| logD: | 4.1424 |
| logSw: | -4.4068 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.287 |
| InChI Key: | WPKHGIYCZNLTFL-UHFFFAOYSA-N |