5-({N-[(furan-2-yl)methyl]-3-(trifluoromethyl)benzamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-({N-[(furan-2-yl)methyl]-3-(trifluoromethyl)benzamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-({N-[(furan-2-yl)methyl]-3-(trifluoromethyl)benzamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V002-1342 |
| Compound Name: | 5-({N-[(furan-2-yl)methyl]-3-(trifluoromethyl)benzamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 613.53 |
| Molecular Formula: | C28 H21 F6 N O6 S |
| Smiles: | COc1ccc(CN(Cc2ccco2)C(c2cccc(c2)C(F)(F)F)=O)cc1OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6669 |
| logD: | 5.6669 |
| logSw: | -5.6928 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.405 |
| InChI Key: | DUVMBZVLWVGEGP-UHFFFAOYSA-N |