4-{[acetyl(2-methoxyethyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-{[acetyl(2-methoxyethyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-{[acetyl(2-methoxyethyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V007-5188 |
| Compound Name: | 4-{[acetyl(2-methoxyethyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 431.43 |
| Molecular Formula: | C19 H20 F3 N O5 S |
| Smiles: | CC(N(CCOC)Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9659 |
| logD: | 2.9659 |
| logSw: | -3.4299 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.271 |
| InChI Key: | KKYYAQJOCGXKKP-UHFFFAOYSA-N |