2-[2-bromo-6-methoxy-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetamide
Chemical Structure Depiction of
2-[2-bromo-6-methoxy-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetamide
2-[2-bromo-6-methoxy-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetamide
Compound characteristics
| Compound ID: | Y509-0328 |
| Compound Name: | 2-[2-bromo-6-methoxy-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetamide |
| Molecular Weight: | 512.28 |
| Molecular Formula: | C21 H17 Br F3 N3 O4 |
| Smiles: | CC1/C(=C/c2cc(c(c(c2)[Br])OCC(N)=O)OC)C(N(c2cccc(c2)C(F)(F)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.588 |
| logD: | 3.5879 |
| logSw: | -3.9084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.277 |
| InChI Key: | CHJIPEQGSPNEFJ-UHFFFAOYSA-N |