4-{5-ethyl-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl benzoate--hydrogen bromide (1/1)
Chemical Structure Depiction of
4-{5-ethyl-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl benzoate--hydrogen bromide (1/1)
4-{5-ethyl-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl benzoate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 3011-0218 |
| Compound Name: | 4-{5-ethyl-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl benzoate--hydrogen bromide (1/1) |
| Molecular Weight: | 634.59 |
| Molecular Formula: | C31 H24 F N3 O2 S2 |
| Salt: | HBr |
| Smiles: | CCc1c(c2ccc(cc2)OC(c2ccccc2)=O)nc(N2C(CC(c3cccs3)=N2)c2ccc(cc2)F)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.5582 |
| logD: | 8.5581 |
| logSw: | -5.9745 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.634 |
| InChI Key: | VNOUBFIHZIAATQ-SANMLTNESA-N |