2-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
2-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4545 |
| Compound Name: | 2-{[3-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C23 H21 F2 N O4 S |
| Smiles: | CC(C)N(Cc1ccccc1OS(c1ccc(cc1)F)(=O)=O)C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9223 |
| logD: | 4.9223 |
| logSw: | -4.6965 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.041 |
| InChI Key: | KDCHEAAYCDVVML-UHFFFAOYSA-N |