3-{[N-(butan-2-yl)-2-fluorobenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)-2-fluorobenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[N-(butan-2-yl)-2-fluorobenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1078 |
| Compound Name: | 3-{[N-(butan-2-yl)-2-fluorobenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 459.51 |
| Molecular Formula: | C24 H23 F2 N O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(c1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1922 |
| logD: | 5.1922 |
| logSw: | -5.0305 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.539 |
| InChI Key: | ANHQBRCYMWHFAZ-KRWDZBQOSA-N |