4-{2-[4-(3-nitrophenyl)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl]ethyl}benzene-1-sulfonamide--hydrogen bromide (1/1)
Chemical Structure Depiction of
4-{2-[4-(3-nitrophenyl)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl]ethyl}benzene-1-sulfonamide--hydrogen bromide (1/1)
4-{2-[4-(3-nitrophenyl)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl]ethyl}benzene-1-sulfonamide--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-2767 |
| Compound Name: | 4-{2-[4-(3-nitrophenyl)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl]ethyl}benzene-1-sulfonamide--hydrogen bromide (1/1) |
| Molecular Weight: | 629.47 |
| Molecular Formula: | C24 H19 F3 N4 O4 S2 |
| Salt: | HBr |
| Smiles: | C(CN1C(=CSC/1=N/c1cccc(c1)C(F)(F)F)c1cccc(c1)[N+]([O-])=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5338 |
| logD: | 5.5328 |
| logSw: | -6.0789 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.266 |
| InChI Key: | YZKMLXQQWQITJU-FAJYDZGRSA-N |