2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5608 |
| Compound Name: | 2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 581.65 |
| Molecular Formula: | C28 H34 F3 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(Cc2ccco2)C(NC(C)(C)C)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3054 |
| logD: | 6.2946 |
| logSw: | -5.6466 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.749 |
| InChI Key: | PBXOMHOMNYNSTE-UHFFFAOYSA-N |