4-[3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
4-[3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 5618-0027 |
| Compound Name: | 4-[3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 440.38 |
| Molecular Formula: | C23 H15 F3 N2 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3cccc(c3)C(F)(F)F)o2)C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.333 |
| logD: | 2.9378 |
| logSw: | -5.449 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.565 |
| InChI Key: | SFVRJPWNVAZKMP-UHFFFAOYSA-N |