2-(3-{2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-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-(4-fluorophenyl)-3-(thiophen-2-yl)-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-(4-fluorophenyl)-3-(thiophen-2-yl)-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: | 8007-8397 |
| Compound Name: | 2-(3-{2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-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: | 631.54 |
| Molecular Formula: | C30 H19 F N4 O2 S2 |
| Salt: | HBr |
| Smiles: | C1C(c2ccc(cc2)F)N(c2nc(cs2)c2cccc(c2)N2C(c3ccccc3C2=O)=O)N=C1c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6324 |
| logD: | 7.6324 |
| logSw: | -6.2125 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.127 |
| InChI Key: | SNKCNLSMJCCYBZ-SANMLTNESA-N |