4-[4-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[4-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
4-[4-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 5510-0282 |
| Compound Name: | 4-[4-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 462.42 |
| Molecular Formula: | C23 H21 F3 N2 O5 |
| Smiles: | CC(C)COc1ccc(/C=C2/C(C(F)(F)F)=NN(C2=O)c2ccc(cc2)C(O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0134 |
| logD: | 2.6182 |
| logSw: | -4.5573 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.038 |
| InChI Key: | XPLWZORFPQLGMS-UHFFFAOYSA-N |