2-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-3997 |
| Compound Name: | 2-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 509.52 |
| Molecular Formula: | C25 H23 F4 N O4 S |
| Smiles: | CC(C)CN(Cc1ccccc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8179 |
| logD: | 5.8179 |
| logSw: | -5.6697 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.298 |
| InChI Key: | HCSORWIGRRCMPJ-UHFFFAOYSA-N |