ethyl 4-{4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoate
ethyl 4-{4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Compound characteristics
| Compound ID: | 4545-1560 |
| Compound Name: | ethyl 4-{4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoate |
| Molecular Weight: | 434.37 |
| Molecular Formula: | C21 H17 F3 N2 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(=C/c2ccc(c(c2)OC)O)\C(C(F)(F)F)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8165 |
| logD: | 3.8117 |
| logSw: | -3.7539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.346 |
| InChI Key: | RNBSBUZWNWGNJK-UHFFFAOYSA-N |