4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

• ChemBase编号: 173975
• 分子式: C15H15N3O4S2
• 平均质量: 365.4273
• 单一同位素质量: 365.05039798
• SMILES: c1cccc2c1C(=C(N(S2(=O)=O)C)C(=O)Nc1ncc(s1)C)OC
• Canonical SMILES: COC1=C(C(=O)Nc2ncc(s2)C)N(C)S(=O)(=O)c2c1cccc2
• InChI: InChI=1S/C15H15N3O4S2/c1-9-8-16-15(23-9)17-14(19)12-13(22-3)10-6-4-5-7-11(10)24(20,21)18(12)2/h4-8H,1-3H3,(H,16,17,19)
• InChIKey: RTUDJLQLPHEBEE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ^6,2-benzothiazine-3-carboxamide
• IUPAC传统名: 4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ^6,2-benzothiazine-3-carboxamide
• 别名: 4-Methoxy-2-methyl-N-(5-methyl-2-thiazolyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-Dioxide; O-Methyl Meloxicam

登记号

• PubChem SID: 164229885
• PubChem CID: 23331598

理论计算性质

• Acid pKa: 10.553262
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 1.7134013
• LogD (pH = 7.4): 1.7131189
• Log P: 1.7134087
• 摩尔折射率: 93.3761 cm^3
• 极化性: 35.047176 Å^3
• 极化表面积: 88.6 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M321150

O-Methyl Meloxicam is an impurity of Meloxicam (M216100).