3-{[2-phenyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[2-phenyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[2-phenyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-2097 |
| Compound Name: | 3-{[2-phenyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 469.57 |
| Molecular Formula: | C26 H28 F N O4 S |
| Smiles: | CCC(C(N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(C)C)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6318 |
| logD: | 5.6318 |
| logSw: | -5.4347 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.955 |
| InChI Key: | RIDSNKYRHOASFW-RUZDIDTESA-N |