3-[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
3-[4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
3-[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: | 5618-0035 |
Compound Name: | 3-[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)c1cccc(c1)C(O)=O)\c1ccc(c2ccccc2[N+]([O-])=O)o1 |
Stereo: | ACHIRAL |
logP: | 4.6546 |
logD: | 1.7688 |
logSw: | -4.6125 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 95.472 |
InChI Key: | RMOGKOXPAXDADB-UHFFFAOYSA-N |