4-({N-[(furan-2-yl)methyl](2-methylphenyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[(furan-2-yl)methyl](2-methylphenyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-({N-[(furan-2-yl)methyl](2-methylphenyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-2166 |
| Compound Name: | 4-({N-[(furan-2-yl)methyl](2-methylphenyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 544.55 |
| Molecular Formula: | C27 H23 F3 N2 O5 S |
| Smiles: | Cc1ccccc1NC(N(Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7995 |
| logD: | 5.7995 |
| logSw: | -5.5988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.811 |
| InChI Key: | QAOGAMITRCBRDT-UHFFFAOYSA-N |