4-({N-[(furan-2-yl)methyl][4-(propan-2-yl)phenyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[(furan-2-yl)methyl][4-(propan-2-yl)phenyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-({N-[(furan-2-yl)methyl][4-(propan-2-yl)phenyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-3556 |
| Compound Name: | 4-({N-[(furan-2-yl)methyl][4-(propan-2-yl)phenyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 572.6 |
| Molecular Formula: | C29 H27 F3 N2 O5 S |
| Smiles: | CC(C)c1ccc(cc1)NC(N(Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9468 |
| logD: | 6.9468 |
| logSw: | -5.784 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.509 |
| InChI Key: | GBHCJZVZQPHOEH-UHFFFAOYSA-N |