TL;DR: 2-chloro-N-(2-(4-methoxyphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-nitrobenzamide (CAS 1007192-45-1) is a chemical compound with molecular formula C19H15ClN4O5S and molecular weight 446.04517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide
Also Known As: 2-chloro-N-(2-(4-methoxyphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-nitrobenzamide, F0561-0591, 2-chloro-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide, 2-chloro-N-[2-(4-methoxyphenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide
| Molecular Formula | C19H15ClN4O5S |
| Molecular Weight | 446.04517 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.04517 Da |
| Heavy Atoms | 30 |
| Complexity | 686.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl |
| InChIKey | UUTBCSKSSVEJMX-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(2-(4-methoxyphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-nitrobenzamide. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(2-(4-methoxyphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-(2-(4-methoxyphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-nitrobenzamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-chloro-N-(2-(4-methoxyphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-nitrobenzamide is 1007192-45-1.
The molecular formula of 2-chloro-N-(2-(4-methoxyphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-nitrobenzamide is C19H15ClN4O5S.
The molecular weight of 2-chloro-N-(2-(4-methoxyphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-nitrobenzamide is 446.04517 g/mol.
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