4-(4-{[4-(benzyloxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(4-{[4-(benzyloxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-(4-{[4-(benzyloxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 4357-3481 |
| Compound Name: | 4-(4-{[4-(benzyloxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C25 H20 N2 O4 |
| Smiles: | CC1/C(=C\c2ccc(cc2)OCc2ccccc2)C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8499 |
| logD: | 2.4546 |
| logSw: | -4.6336 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.222 |
| InChI Key: | ZMLOFZOUXDPPTJ-UHFFFAOYSA-N |