TL;DR: 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide (CAS 1005703-11-6) is a chemical compound with molecular formula C15H11BrClF2N3O2S and molecular weight 448.9412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
Also Known As: 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide, 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide, 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzothiophene-2-carboxamide
| Molecular Formula | C15H11BrClF2N3O2S |
| Molecular Weight | 448.9412 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 84.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.9412 Da |
| Heavy Atoms | 25 |
| Complexity | 496.0 |
| SMILES | CN1C=C(C=N1)CNC(=O)C2=C(C3=C(C=CC(=C3S2)Br)OC(F)F)Cl |
| InChIKey | ZRAVGMGYZIXCDW-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide 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 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide is 1005703-11-6.
The molecular formula of 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide is C15H11BrClF2N3O2S.
The molecular weight of 7-bromo-3-chloro-4-(difluoromethoxy)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-benzothiophene-2-carboxamide is 448.9412 g/mol.
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