TL;DR: 4-isopropoxy-N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide (CAS 1020247-90-8) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-propan-2-yloxybenzamide
Also Known As: 4-isopropoxy-N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, F0561-0758, N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-propan-2-yloxybenzamide, N-{5-oxo-2-phenyl-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl}-4-(propan-2-yloxy)benzamide, 4-isopropoxy-N-(5-oxido-2-phenyl-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)benzamide
| Molecular Formula | C21H21N3O3S |
| Molecular Weight | 395.13037 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.13037 Da |
| Heavy Atoms | 28 |
| Complexity | 573.0 |
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)NC2=C3CS(=O)CC3=NN2C4=CC=CC=C4 |
| InChIKey | NAQINAMZSUMLMG-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-isopropoxy-N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-isopropoxy-N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide. Following Lipinski's Rule of Five, 4-isopropoxy-N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-isopropoxy-N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide is 1020247-90-8.
The molecular formula of 4-isopropoxy-N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide is C21H21N3O3S.
The molecular weight of 4-isopropoxy-N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide is 395.13037 g/mol.
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