N-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-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-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-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-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
Compound characteristics
| Compound ID: | E239-1921 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide |
| Molecular Weight: | 542.61 |
| Molecular Formula: | C29 H26 N4 O5 S |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccc(cc2)OC)=NN1C1=NC(C(CC(Nc2ccc3c(c2)OCO3)=O)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2486 |
| logD: | 5.2484 |
| logSw: | -5.0617 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.632 |
| InChI Key: | CDWNFIVQTQSKCR-UHFFFAOYSA-N |