5-{[([1,1'-biphenyl]-4-carbonyl)(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[([1,1'-biphenyl]-4-carbonyl)(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[([1,1'-biphenyl]-4-carbonyl)(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V012-5063 |
| Compound Name: | 5-{[([1,1'-biphenyl]-4-carbonyl)(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 599.63 |
| Molecular Formula: | C31 H28 F3 N O6 S |
| Smiles: | COCCN(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(c1ccc(cc1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.677 |
| logD: | 5.677 |
| logSw: | -5.7493 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.977 |
| InChI Key: | AGJKWQRYAFNGAD-UHFFFAOYSA-N |