4-{[2-chloro-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[2-chloro-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-{[2-chloro-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-1414 |
| Compound Name: | 4-{[2-chloro-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 413.89 |
| Molecular Formula: | C19 H21 Cl F N O4 S |
| Smiles: | CC(C)N(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(C(C)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9625 |
| logD: | 3.9625 |
| logSw: | -4.0588 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.226 |
| InChI Key: | RBLFVOKRAYNGIG-AWEZNQCLSA-N |