4-[4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
4-[4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 5618-0036 |
| Compound Name: | 4-[4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 471.35 |
| Molecular Formula: | C22 H12 F3 N3 O6 |
| Smiles: | C(=C1/C(C(F)(F)F)=NN(C1=O)c1ccc(cc1)C(O)=O)\c1ccc(c2ccccc2[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.5608 |
| logD: | 2.1656 |
| logSw: | -4.5128 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.472 |
| InChI Key: | IKSQQZOUVQBOOV-UHFFFAOYSA-N |