4-{[N-(butan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-{[N-(butan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V017-3029 |
| Compound Name: | 4-{[N-(butan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C20 H24 F N O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1389 |
| logD: | 4.1389 |
| logSw: | -3.9879 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.283 |
| InChI Key: | IXSBTRNIBBHAES-HNNXBMFYSA-N |