2-chloro-5-(4-{[4-(diethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(4-{[4-(diethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
2-chloro-5-(4-{[4-(diethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8009-2822 |
| Compound Name: | 2-chloro-5-(4-{[4-(diethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C22 H22 Cl N3 O3 |
| Smiles: | CCN(CC)c1ccc(/C=C2/C(C)=NN(C2=O)c2ccc(c(c2)C(O)=O)[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.581 |
| logD: | 0.778 |
| logSw: | -4.6142 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.731 |
| InChI Key: | NJEMJYKEOFGEEM-UHFFFAOYSA-N |