3-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1137 |
| Compound Name: | 3-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 475.97 |
| Molecular Formula: | C24 H23 Cl F N O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4706 |
| logD: | 5.4706 |
| logSw: | -5.8064 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.539 |
| InChI Key: | IYNNADXEOMVIDD-KRWDZBQOSA-N |