3-{[(benzenesulfonyl)(2-methoxyethyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(benzenesulfonyl)(2-methoxyethyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[(benzenesulfonyl)(2-methoxyethyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-6801 |
| Compound Name: | 3-{[(benzenesulfonyl)(2-methoxyethyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C22 H22 F N O6 S2 |
| Smiles: | COCCN(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8437 |
| logD: | 3.8437 |
| logSw: | -3.9648 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.696 |
| InChI Key: | PWTUKAOSBDKDNX-UHFFFAOYSA-N |