3-(4-{[5-bromo-2-(cyanomethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(4-{[5-bromo-2-(cyanomethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(4-{[5-bromo-2-(cyanomethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y508-6407 |
| Compound Name: | 3-(4-{[5-bromo-2-(cyanomethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 440.25 |
| Molecular Formula: | C20 H14 Br N3 O4 |
| Smiles: | CC1/C(=C/c2cc(ccc2OCC#N)[Br])C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8503 |
| logD: | 0.9645 |
| logSw: | -4.0042 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.991 |
| InChI Key: | WPRJPKQONHAIOE-UHFFFAOYSA-N |