2-(3-{2-[5-(furan-2-yl)-3-(4-methoxyphenyl)-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-[5-(furan-2-yl)-3-(4-methoxyphenyl)-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-[5-(furan-2-yl)-3-(4-methoxyphenyl)-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: | 3011-0255 |
| Compound Name: | 2-(3-{2-[5-(furan-2-yl)-3-(4-methoxyphenyl)-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: | 627.52 |
| Molecular Formula: | C31 H22 N4 O4 S |
| Salt: | HBr |
| Smiles: | COc1ccc(cc1)C1CC(c2ccco2)N(c2nc(cs2)c2cccc(c2)N2C(c3ccccc3C2=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9727 |
| logD: | 6.9727 |
| logSw: | -5.7267 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.231 |
| InChI Key: | ZMTDCEXHEYWQPT-MHZLTWQESA-N |