4-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-5-ethyl-1,3-thiazol-4-yl}phenyl benzoate--hydrogen bromide (1/1)
Chemical Structure Depiction of
4-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-5-ethyl-1,3-thiazol-4-yl}phenyl benzoate--hydrogen bromide (1/1)
4-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-5-ethyl-1,3-thiazol-4-yl}phenyl benzoate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8008-7124 |
| Compound Name: | 4-{2-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-5-ethyl-1,3-thiazol-4-yl}phenyl benzoate--hydrogen bromide (1/1) |
| Molecular Weight: | 676.65 |
| Molecular Formula: | C33 H29 N3 O4 S2 |
| Salt: | HBr |
| Smiles: | CCc1c(c2ccc(cc2)OC(c2ccccc2)=O)nc(N2C(CC(c3cccs3)=N2)c2ccc(c(c2)OC)OC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.1932 |
| logD: | 8.1931 |
| logSw: | -5.7906 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.895 |
| InChI Key: | OMHAOGZEBHMSOW-SANMLTNESA-N |