4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-6543 |
| Compound Name: | 4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 452.86 |
| Molecular Formula: | C22 H20 Cl F3 N2 O3 |
| Smiles: | CCOc1cc(/C=C2/C(C)=NN(C2=O)c2cccc(c2)C(F)(F)F)cc(c1OCC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8048 |
| logD: | 5.8048 |
| logSw: | -6.094 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.094 |
| InChI Key: | WETIQNYMWHTSHR-UHFFFAOYSA-N |