TL;DR: 2-methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-1$l^{6},2-benzothiazine-3-carboxamide (CAS 1488516-58-0) is a chemical compound with molecular formula C15H13N3O4S and molecular weight 331.06268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-1,1,4-trioxo-N-pyridin-2-yl-3H-1λ6,2-benzothiazine-3-carboxamide
Also Known As: BRD-A57382968-001-06-8, BRD-A57382968-001-18-3, BRD-A57382968-001-27-4, BRD-A57382968-001-28-2, BRD-A57382968-001-29-0
| Molecular Formula | C15H13N3O4S |
| Molecular Weight | 331.06268 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.06268 Da |
| Heavy Atoms | 23 |
| Complexity | 586.0 |
| SMILES | CN1C(C(=O)C2=CC=CC=C2S1(=O)=O)C(=O)NC3=CC=CC=N3 |
| InChIKey | MNSCVRXKDINXEY-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-1$l^{6},2-benzothiazine-3-carboxamide. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-1$l^{6},2-benzothiazine-3-carboxamide. Following Lipinski's Rule of Five, 2-methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-1$l^{6},2-benzothiazine-3-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 2-methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-1$l^{6},2-benzothiazine-3-carboxamide is 1488516-58-0.
The molecular formula of 2-methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-1$l^{6},2-benzothiazine-3-carboxamide is C15H13N3O4S.
The molecular weight of 2-methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-1$l^{6},2-benzothiazine-3-carboxamide is 331.06268 g/mol.
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