3-[3-methyl-5-oxo-4-({2-[(propan-2-yl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
3-[3-methyl-5-oxo-4-({2-[(propan-2-yl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
3-[3-methyl-5-oxo-4-({2-[(propan-2-yl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | Y509-0375 |
| Compound Name: | 3-[3-methyl-5-oxo-4-({2-[(propan-2-yl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C21 H20 N2 O4 |
| Smiles: | CC(C)Oc1ccccc1/C=C1/C(C)=NN(C1=O)c1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1505 |
| logD: | 1.2647 |
| logSw: | -4.3364 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.884 |
| InChI Key: | AWVKDHKAQSJJGA-UHFFFAOYSA-N |