4-({4-[(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({4-[(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 5784-0381 |
| Compound Name: | 4-({4-[(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C27 H24 N2 O4 |
| Smiles: | CCCC1/C(=C\c2ccc(cc2)OCc2ccc(cc2)C(O)=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.633 |
| logD: | 2.6615 |
| logSw: | -5.5329 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.953 |
| InChI Key: | JQFHVIXDOTUIRX-UHFFFAOYSA-N |