5-{[acetyl(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[acetyl(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[acetyl(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6761 |
| Compound Name: | 5-{[acetyl(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 461.46 |
| Molecular Formula: | C20 H22 F3 N O6 S |
| Smiles: | CC(N(CCOC)Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7027 |
| logD: | 2.7027 |
| logSw: | -3.1439 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.988 |
| InChI Key: | LUCGTLYDWSQENL-UHFFFAOYSA-N |