2-{4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}propanoic acid
Chemical Structure Depiction of
2-{4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}propanoic acid
2-{4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}propanoic acid
Compound characteristics
| Compound ID: | 3636-0606 |
| Compound Name: | 2-{4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}propanoic acid |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C20 H18 N2 O4 |
| Smiles: | CC(C(O)=O)Oc1ccc(\C=C2/C(C)=NN(C2=O)c2ccccc2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1257 |
| logD: | -0.8737 |
| logSw: | -3.2199 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.784 |
| InChI Key: | AKNPESZCSZHCQJ-AWEZNQCLSA-N |