4-(2-{2-[3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamido)benzoic acid
Chemical Structure Depiction of
4-(2-{2-[3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamido)benzoic acid
4-(2-{2-[3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | C202-2031 |
| Compound Name: | 4-(2-{2-[3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamido)benzoic acid |
| Molecular Weight: | 512.59 |
| Molecular Formula: | C28 H24 N4 O4 S |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccccc2)N(C2=NC(C(CC(Nc3ccc(cc3)C(O)=O)=O)S2)=O)N=1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2856 |
| logD: | 2.8904 |
| logSw: | -5.1775 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.381 |
| InChI Key: | FOKPEFDCZSHNFV-UHFFFAOYSA-N |