5-({3-fluoro-N-[(oxolan-2-yl)methyl]benzamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-({3-fluoro-N-[(oxolan-2-yl)methyl]benzamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-({3-fluoro-N-[(oxolan-2-yl)methyl]benzamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-2895 |
| Compound Name: | 5-({3-fluoro-N-[(oxolan-2-yl)methyl]benzamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 567.56 |
| Molecular Formula: | C27 H25 F4 N O6 S |
| Smiles: | COc1ccc(CN(CC2CCCO2)C(c2cccc(c2)F)=O)cc1OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1755 |
| logD: | 4.1755 |
| logSw: | -4.3683 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.311 |
| InChI Key: | JCYCYPFVFLQYHK-JOCHJYFZSA-N |