5-({N-[(furan-2-yl)methyl][2-(trifluoromethyl)phenyl]carbamamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({N-[(furan-2-yl)methyl][2-(trifluoromethyl)phenyl]carbamamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-({N-[(furan-2-yl)methyl][2-(trifluoromethyl)phenyl]carbamamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V012-0971 |
| Compound Name: | 5-({N-[(furan-2-yl)methyl][2-(trifluoromethyl)phenyl]carbamamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 578.54 |
| Molecular Formula: | C27 H22 F4 N2 O6 S |
| Smiles: | COc1ccc(CN(Cc2ccco2)C(Nc2ccccc2C(F)(F)F)=O)cc1OS(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6049 |
| logD: | 5.6049 |
| logSw: | -5.4176 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.528 |
| InChI Key: | ZNZAZHBSVUJREI-UHFFFAOYSA-N |