1-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine--hydrogen bromide (1/1)
Chemical Structure Depiction of
1-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine--hydrogen bromide (1/1)
1-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8005-1943 |
| Compound Name: | 1-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonyl)piperidine--hydrogen bromide (1/1) |
| Molecular Weight: | 672.6 |
| Molecular Formula: | C29 H26 F N5 O4 S2 |
| Salt: | HBr |
| Smiles: | C1CCN(CC1)S(c1ccc(cc1)c1csc(n1)N1C(CC(c2cccc(c2)[N+]([O-])=O)=N1)c1ccc(cc1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3404 |
| logD: | 7.3404 |
| logSw: | -6.3473 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.56 |
| InChI Key: | AWSXJYQYMKLULM-NDEPHWFRSA-N |