4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2702 |
| Compound Name: | 4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C22 H27 Cl F N O4 S |
| Smiles: | CC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7678 |
| logD: | 5.7678 |
| logSw: | -5.9016 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.785 |
| InChI Key: | HOBWLAXOYUPEEM-UHFFFAOYSA-N |