5-{[(butan-2-yl)(methoxyacetyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[(butan-2-yl)(methoxyacetyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[(butan-2-yl)(methoxyacetyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6689 |
| Compound Name: | 5-{[(butan-2-yl)(methoxyacetyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 489.51 |
| Molecular Formula: | C22 H26 F3 N O6 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(COC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.67 |
| logD: | 3.67 |
| logSw: | -4.0334 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.424 |
| InChI Key: | SGFKKMPHFIROOA-HNNXBMFYSA-N |