5-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
5-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3174-0443 |
| Compound Name: | 5-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 452.39 |
| Molecular Formula: | C24 H15 F3 N2 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc4C(=O)OCc4c3)o2)C(N(c2cccc(c2)C(F)(F)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.89 |
| logD: | 4.89 |
| logSw: | -4.7625 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.729 |
| InChI Key: | ZAVZCRDNTLPRMM-UHFFFAOYSA-N |