2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-5746 |
| Compound Name: | 2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 421.53 |
| Molecular Formula: | C22 H28 F N O4 S |
| Smiles: | CC(C)N(Cc1ccccc1OS(c1ccc(cc1)F)(=O)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2032 |
| logD: | 5.2032 |
| logSw: | -5.1005 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.785 |
| InChI Key: | KOZVDPCVTZHFBD-UHFFFAOYSA-N |