4-(4-{[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(4-{[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-(4-{[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y510-7190 |
| Compound Name: | 4-(4-{[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 487.31 |
| Molecular Formula: | C22 H19 Br N2 O6 |
| Smiles: | CCOC(COc1ccc(cc1\C=C1/C(C)=NN(C1=O)c1ccc(cc1)C(O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.137 |
| logD: | 1.742 |
| logSw: | -4.23 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.74 |
| InChI Key: | UMOWWXRQSSXTIP-UHFFFAOYSA-N |