4-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-N,N-diethylbenzene-1-sulfonamide--hydrogen bromide (1/1)
Chemical Structure Depiction of
4-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-N,N-diethylbenzene-1-sulfonamide--hydrogen bromide (1/1)
4-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-N,N-diethylbenzene-1-sulfonamide--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 3011-0188 |
| Compound Name: | 4-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-N,N-diethylbenzene-1-sulfonamide--hydrogen bromide (1/1) |
| Molecular Weight: | 670.65 |
| Molecular Formula: | C30 H31 N5 O4 S2 |
| Salt: | HBr |
| Smiles: | CCN(CC)S(c1ccc(cc1)c1csc(n1)N1C(CC(c2cc(C)ccc2C)=N1)c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.8667 |
| logD: | 7.8667 |
| logSw: | -5.8728 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.946 |
| InChI Key: | ZJOVGTBOOHBYQL-LJAQVGFWSA-N |