3-[4-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
3-[4-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
3-[4-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 3172-0317 |
| Compound Name: | 3-[4-{[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 485.37 |
| Molecular Formula: | C23 H14 F3 N3 O6 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C2/C(C(F)(F)F)=NN(C2=O)c2cccc(c2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.2232 |
| logD: | 2.3374 |
| logSw: | -4.9388 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.472 |
| InChI Key: | PEOXJVAOVCIKAE-UHFFFAOYSA-N |