3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]benzamide;4-[4-[(E)-3-[1-(4-carboxylatophenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-3-methyl-5-oxidopyrazol-1-yl]benzoate;N-(2,5-dimethylphenyl)-4-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-1-oxonaphthalene-2-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]benzamide;4-[4-[(E)-3-[1-(4-carboxylatophenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-3-methyl-5-oxidopyrazol-1-yl]benzoate;N-(2,5-dimethylphenyl)-4-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-1-oxonaphthalene-2-carboxamide
• 化学式: C100H98Cl3N12O13-3
• 分子量: 1782.3
• InChiKey: VSENBCXAZSRMQW-NDZMSNIBSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  16.72
• 重原子数：
  128
• 可旋转键数：
  26
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  339
• 氢给体数：
  4
• 氢受体数：
  19