3-(4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3172-0781 |
| Compound Name: | 3-(4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C26 H22 N2 O5 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)OC)OCc2ccccc2)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6689 |
| logD: | 1.7831 |
| logSw: | -4.7126 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.94 |
| InChI Key: | VSOSJUHDGNATRH-UHFFFAOYSA-N |