3-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-6186 |
| Compound Name: | 3-{[3,3-dimethyl-N-(2-methylpropyl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 435.56 |
| Molecular Formula: | C23 H30 F N O4 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4395 |
| logD: | 5.4395 |
| logSw: | -5.4524 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.955 |
| InChI Key: | XFZJVZDKVCCZJV-UHFFFAOYSA-N |