5-{[acetyl(2-methylpropyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[acetyl(2-methylpropyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[acetyl(2-methylpropyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6670 |
| Compound Name: | 5-{[acetyl(2-methylpropyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H24 F3 N O5 S |
| Smiles: | CC(C)CN(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9914 |
| logD: | 3.9914 |
| logSw: | -4.2661 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.667 |
| InChI Key: | WZULYHPFOCTHMP-UHFFFAOYSA-N |