4-chloro-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4800 |
| Compound Name: | 4-chloro-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C22 H27 Cl F N O4 S |
| Smiles: | CC(C)CC(N(CC(C)C)Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6841 |
| logD: | 5.6841 |
| logSw: | -5.8955 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.042 |
| InChI Key: | RDEKAHGXCQJKNH-UHFFFAOYSA-N |