TL;DR: N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide (CAS 1007194-30-0) is a chemical compound with molecular formula C16H18N4O4S and molecular weight 362.1049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide
Also Known As: N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide, F0561-0451, N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide, N-{2-tert-butyl-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl}-3-nitrobenzamide
| Molecular Formula | C16H18N4O4S |
| Molecular Weight | 362.1049 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.1049 Da |
| Heavy Atoms | 25 |
| Complexity | 573.0 |
| SMILES | CC(C)(C)N1C(=C2CS(=O)CC2=N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | RMPIYPDSERDBCR-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide is 1007194-30-0.
The molecular formula of N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide is C16H18N4O4S.
The molecular weight of N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide is 362.1049 g/mol.
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