ethyl 2-chloro-5-[5-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)furan-2-yl]benzoate
Chemical Structure Depiction of
ethyl 2-chloro-5-[5-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)furan-2-yl]benzoate
ethyl 2-chloro-5-[5-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)furan-2-yl]benzoate
Compound characteristics
| Compound ID: | 2083-0774 |
| Compound Name: | ethyl 2-chloro-5-[5-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)furan-2-yl]benzoate |
| Molecular Weight: | 502.88 |
| Molecular Formula: | C25 H18 Cl F3 N2 O4 |
| Smiles: | CCOC(c1cc(ccc1[Cl])c1ccc(\C=C2/C(C)=NN(C2=O)c2cccc(c2)C(F)(F)F)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7396 |
| logD: | 6.7396 |
| logSw: | -6.3878 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.91 |
| InChI Key: | XSHAVHOOKUNKCG-UHFFFAOYSA-N |