4-({[2,6-di(propan-2-yl)phenyl]-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-({[2,6-di(propan-2-yl)phenyl]-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-({[2,6-di(propan-2-yl)phenyl]-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-4061 |
| Compound Name: | 4-({[2,6-di(propan-2-yl)phenyl]-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 614.68 |
| Molecular Formula: | C32 H33 F3 N2 O5 S |
| Smiles: | CC(C)c1cccc(C(C)C)c1NC(N(Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5908 |
| logD: | 6.5908 |
| logSw: | -5.7785 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.113 |
| InChI Key: | TVMPPHPZLQEMFV-UHFFFAOYSA-N |