3-[4-({3,5-dibromo-2-[(propan-2-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
3-[4-({3,5-dibromo-2-[(propan-2-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
3-[4-({3,5-dibromo-2-[(propan-2-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | Y510-7039 |
| Compound Name: | 3-[4-({3,5-dibromo-2-[(propan-2-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 522.19 |
| Molecular Formula: | C21 H18 Br2 N2 O4 |
| Smiles: | CC(C)Oc1c(/C=C2/C(C)=NN(C2=O)c2cccc(c2)C(O)=O)cc(cc1[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.786 |
| logD: | 2.901 |
| logSw: | -5.416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.97 |
| InChI Key: | XEOJIKCXWHQNGU-UHFFFAOYSA-N |