3-{[acetyl(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[acetyl(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[acetyl(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-3778 |
| Compound Name: | 3-{[acetyl(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 429.46 |
| Molecular Formula: | C20 H22 F3 N O4 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2965 |
| logD: | 4.2965 |
| logSw: | -4.374 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.95 |
| InChI Key: | IIMFTCBYCYGLFO-UHFFFAOYSA-N |