3-({(3-cyanophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-({(3-cyanophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-({(3-cyanophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V002-2521 |
| Compound Name: | 3-({(3-cyanophenyl)-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 555.53 |
| Molecular Formula: | C27 H20 F3 N3 O5 S |
| Smiles: | C(c1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)N(Cc1ccco1)C(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5116 |
| logD: | 5.5116 |
| logSw: | -5.9887 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.565 |
| InChI Key: | KUHKIZBKPQKZPN-UHFFFAOYSA-N |