3,5-Dichloro-4-[2-(2-nonadeca-1,3,5,7,9,11,13,15,17-nonaynoxyanilino)-1-(2-octadecyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)-2-oxoethoxy]benzoic acid;1-[1-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl]-2-(2-hexadecoxyanilino)-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid;1-[1-(2-dodecyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)-2-(2-hexoxyanilino)-2-oxoethyl]imidazole-4-carboxylic acid;3-[2-(2-formylanilino)-1-(2-octadecyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)-2-oxoethoxy]benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪
• 英文名称: 3,5-Dichloro-4-[2-(2-nonadeca-1,3,5,7,9,11,13,15,17-nonaynoxyanilino)-1-(2-octadecyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)-2-oxoethoxy]benzoic acid;1-[1-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl]-2-(2-hexadecoxyanilino)-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid;1-[1-(2-dodecyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)-2-(2-hexoxyanilino)-2-oxoethyl]imidazole-4-carboxylic acid;3-[2-(2-formylanilino)-1-(2-octadecyl-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-yl)-2-oxoethoxy]benzoic acid
• 英文别名: 3,5-dichloro-4-[2-(2-nonadeca-1,3,5,7,9,11,13,15,17-nonaynoxyanilino)-1-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-2-oxoethoxy]benzoic acid;1-[1-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-(2-hexadecoxyanilino)-2-oxoethyl]-5-methylpyrazole-3-carboxylic acid;1-[1-(2-dodecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-2-(2-hexoxyanilino)-2-oxoethyl]imidazole-4-carboxylic acid;3-[2-(2-formylanilino)-1-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-2-oxoethoxy]benzoic acid
• 化学式: C184H220Cl2N16O27S4
• 分子量: 3287.0
• InChiKey: MAAPQMJGSOWNGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  40.17
• 重原子数：
  233
• 可旋转键数：
  105
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  606
• 氢给体数：
  8
• 氢受体数：
  33