N-(2H-1,3-benzodioxol-5-yl)-2-{2-[5-(4-methylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{2-[5-(4-methylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{2-[5-(4-methylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
Compound characteristics
| Compound ID: | E239-0296 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{2-[5-(4-methylphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide |
| Molecular Weight: | 512.59 |
| Molecular Formula: | C28 H24 N4 O4 S |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccccc2)=NN1C1=NC(C(CC(Nc2ccc3c(c2)OCO3)=O)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1611 |
| logD: | 5.161 |
| logSw: | -5.037 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.088 |
| InChI Key: | UYLYIKKUSANBTQ-UHFFFAOYSA-N |