3-(4-{[3-bromo-4-(diethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(4-{[3-bromo-4-(diethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(4-{[3-bromo-4-(diethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3172-0001 |
| Compound Name: | 3-(4-{[3-bromo-4-(diethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 456.34 |
| Molecular Formula: | C22 H22 Br N3 O3 |
| Smiles: | CCN(CC)c1ccc(/C=C2/C(C)=NN(C2=O)c2cccc(c2)C(O)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6783 |
| logD: | 1.7924 |
| logSw: | -4.3812 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.43 |
| InChI Key: | JHVPNKMMBYQJGA-UHFFFAOYSA-N |