3-({N-[(furan-2-yl)methyl](3-methoxyphenyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(furan-2-yl)methyl](3-methoxyphenyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-({N-[(furan-2-yl)methyl](3-methoxyphenyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-0152 |
| Compound Name: | 3-({N-[(furan-2-yl)methyl](3-methoxyphenyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 560.55 |
| Molecular Formula: | C27 H23 F3 N2 O6 S |
| Smiles: | COc1cccc(c1)NC(N(Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7171 |
| logD: | 5.7171 |
| logSw: | -5.604 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.053 |
| InChI Key: | PCRCHKSOILCKSH-UHFFFAOYSA-N |