N,N-diethyl-4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonamide--hydrogen bromide (1/1)
Chemical Structure Depiction of
N,N-diethyl-4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonamide--hydrogen bromide (1/1)
N,N-diethyl-4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonamide--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8005-1942 |
| Compound Name: | N,N-diethyl-4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonamide--hydrogen bromide (1/1) |
| Molecular Weight: | 660.58 |
| Molecular Formula: | C28 H26 F N5 O4 S2 |
| Salt: | HBr |
| Smiles: | CCN(CC)S(c1ccc(cc1)c1csc(n1)N1C(CC(c2cccc(c2)[N+]([O-])=O)=N1)c1ccc(cc1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1674 |
| logD: | 7.1673 |
| logSw: | -5.9255 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.946 |
| InChI Key: | XATWFXXWAHWBCK-MHZLTWQESA-N |