N-(2H-1,3-benzodioxol-5-yl)-2-{2-[5-(3-chlorophenyl)-3-(4-fluorophenyl)-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-(3-chlorophenyl)-3-(4-fluorophenyl)-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-(3-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
Compound characteristics
| Compound ID: | C202-2157 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{2-[5-(3-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide |
| Molecular Weight: | 551 |
| Molecular Formula: | C27 H20 Cl F N4 O4 S |
| Smiles: | C1C(c2cccc(c2)[Cl])N(C2=NC(C(CC(Nc3ccc4c(c3)OCO4)=O)S2)=O)N=C1c1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4762 |
| logD: | 5.4761 |
| logSw: | -6.1492 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.088 |
| InChI Key: | BTWQNTNQAXRYOM-UHFFFAOYSA-N |