3-{4-[(3-bromo-5-ethoxy-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
3-{4-[(3-bromo-5-ethoxy-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
3-{4-[(3-bromo-5-ethoxy-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | Y508-5244 |
| Compound Name: | 3-{4-[(3-bromo-5-ethoxy-4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 650.48 |
| Molecular Formula: | C31 H28 Br N3 O8 |
| Smiles: | CCOC(c1ccc(cc1)NC(COc1c(cc(/C=C2/C(C)=NN(C2=O)c2cccc(c2)C(O)=O)cc1[Br])OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9516 |
| logD: | 3.0658 |
| logSw: | -5.3933 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.509 |
| InChI Key: | WUWLKNATIJYKRK-UHFFFAOYSA-N |