4-(2-{4-[4-(pyrrolidine-1-sulfonyl)phenyl]-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-[4-(pyrrolidine-1-sulfonyl)phenyl]-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl}ethyl)benzene-1-sulfonamide--hydrogen bromide (1/1)
4-(2-{4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl}ethyl)benzene-1-sulfonamide--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-4016 |
| Compound Name: | 4-(2-{4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl}ethyl)benzene-1-sulfonamide--hydrogen bromide (1/1) |
| Molecular Weight: | 717.65 |
| Molecular Formula: | C28 H27 F3 N4 O4 S3 |
| Salt: | HBr |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)C1=CSC(=N/c2cccc(c2)C(F)(F)F)\N1CCc1ccc(cc1)S(N)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3552 |
| logD: | 5.3543 |
| logSw: | -5.9532 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.962 |
| InChI Key: | JYSCTBSJAAMLII-KGGMANCPSA-N |