2-iodo-6-methoxy-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenyl acetate
Chemical Structure Depiction of
2-iodo-6-methoxy-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenyl acetate
2-iodo-6-methoxy-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenyl acetate
Compound characteristics
| Compound ID: | Y508-6557 |
| Compound Name: | 2-iodo-6-methoxy-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenyl acetate |
| Molecular Weight: | 544.27 |
| Molecular Formula: | C21 H16 F3 I N2 O4 |
| Smiles: | CC1/C(=C/c2cc(c(c(c2)I)OC(C)=O)OC)C(N(c2cccc(c2)C(F)(F)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8304 |
| logD: | 4.8304 |
| logSw: | -4.8379 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.142 |
| InChI Key: | XLTWWUZDYDUHSW-UHFFFAOYSA-N |