2-(3-{2-[3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-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-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-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-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-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: | 8006-2604 |
| Compound Name: | 2-(3-{2-[3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-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: | 702.03 |
| Molecular Formula: | C34 H25 Cl N4 O4 S |
| Salt: | HBr |
| Smiles: | COc1ccc(cc1OC)C1CC(c2ccc(cc2)[Cl])=NN1c1nc(cs1)c1cccc(c1)N1C(c2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.0252 |
| logD: | 8.0252 |
| logSw: | -6.4771 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.37 |
| InChI Key: | DXPVUAVALMPRPX-LJAQVGFWSA-N |