2-{4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl}ethan-1-ol--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-{4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl}ethan-1-ol--hydrogen bromide (1/1)
2-{4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl}ethan-1-ol--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-1981 |
| Compound Name: | 2-{4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazol-3(2H)-yl}ethan-1-ol--hydrogen bromide (1/1) |
| Molecular Weight: | 578.47 |
| Molecular Formula: | C22 H22 F3 N3 O3 S2 |
| Salt: | HBr |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)C1=CSC(=N/c2cccc(c2)C(F)(F)F)\N1CCO)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5117 |
| logD: | 4.5114 |
| logSw: | -4.3742 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.286 |
| InChI Key: | JHRQXMXXVYCCTE-QLYXXIJNSA-N |