ethyl 4-{4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoate
ethyl 4-{4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Compound characteristics
| Compound ID: | 4545-1562 |
| Compound Name: | ethyl 4-{4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoate |
| Molecular Weight: | 513.27 |
| Molecular Formula: | C21 H16 Br F3 N2 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(=C/c2cc(c(c(c2)[Br])O)OC)\C(C(F)(F)F)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5954 |
| logD: | 4.5176 |
| logSw: | -4.3053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.277 |
| InChI Key: | RMFBHSJMKKLQMX-UHFFFAOYSA-N |