[2-ethoxy-6-iodo-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetonitrile
Chemical Structure Depiction of
[2-ethoxy-6-iodo-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetonitrile
[2-ethoxy-6-iodo-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetonitrile
Compound characteristics
| Compound ID: | Y508-6588 |
| Compound Name: | [2-ethoxy-6-iodo-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetonitrile |
| Molecular Weight: | 555.29 |
| Molecular Formula: | C22 H17 F3 I N3 O3 |
| Smiles: | CCOc1cc(/C=C2/C(C)=NN(C2=O)c2cccc(c2)C(F)(F)F)cc(c1OCC#N)I |
| Stereo: | ACHIRAL |
| logP: | 4.9742 |
| logD: | 4.9742 |
| logSw: | -4.767 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.88 |
| InChI Key: | SDADDSXFGKXNMJ-UHFFFAOYSA-N |