3-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
3-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl propane-2-sulfonate
3-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-6843 |
| Compound Name: | 3-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C20 H24 F N O4 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(C(C)C)(=O)=O)C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7744 |
| logD: | 3.7744 |
| logSw: | -3.9742 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.226 |
| InChI Key: | ZOUHJHFQFAPFPU-UHFFFAOYSA-N |