4-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-3945 |
| Compound Name: | 4-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 489.99 |
| Molecular Formula: | C25 H25 Cl F N O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(c1c(C)cccc1[Cl])(=O)=O)C(c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6868 |
| logD: | 5.6868 |
| logSw: | -5.9913 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.539 |
| InChI Key: | WUNHXFLKMYJRCA-SFHVURJKSA-N |