N-(2H-1,3-benzodioxol-5-yl)-2-{2-[5-(4-fluorophenyl)-3-(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-[5-(4-fluorophenyl)-3-(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-[5-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
Compound characteristics
| Compound ID: | E239-2000 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide |
| Molecular Weight: | 530.58 |
| Molecular Formula: | C28 H23 F N4 O4 S |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccc(cc2)F)N(C2=NC(C(CC(Nc3ccc4c(c3)OCO4)=O)S2)=O)N=1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2952 |
| logD: | 5.2951 |
| logSw: | -5.3771 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.088 |
| InChI Key: | BDVDSHYZXIFYFN-UHFFFAOYSA-N |