2-(3-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl)-1H-isoindole-1,3(2H)-dione--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-(3-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl)-1H-isoindole-1,3(2H)-dione--hydrogen bromide (1/1)
2-(3-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl)-1H-isoindole-1,3(2H)-dione--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8006-2605 |
| Compound Name: | 2-(3-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl)-1H-isoindole-1,3(2H)-dione--hydrogen bromide (1/1) |
| Molecular Weight: | 680.58 |
| Molecular Formula: | C34 H25 N5 O4 S |
| Salt: | HBr |
| Smiles: | Cc1ccc(C)c(c1)C1CC(c2cccc(c2)[N+]([O-])=O)N(c2nc(cs2)c2cccc(c2)N2C(c3ccccc3C2=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.4149 |
| logD: | 8.4149 |
| logSw: | -5.7569 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.491 |
| InChI Key: | AZFYDAOYYQFZAN-HKBQPEDESA-N |