1-[5-Tert-butyl-3-[4-[2-[[3-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4-[(4-methyl-3-pyridin-3-ylphenyl)carbamoylamino]pyrazol-1-yl]-3-methylbutyl]-methylamino]ethyl]-2,2-dimethyl-3-oxopiperazine-1-carbonyl]thiophen-2-yl]-3-(4-methyl-3-pyridin-3-ylphenyl)urea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-[5-Tert-butyl-3-[4-[2-[[3-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4-[(4-methyl-3-pyridin-3-ylphenyl)carbamoylamino]pyrazol-1-yl]-3-methylbutyl]-methylamino]ethyl]-2,2-dimethyl-3-oxopiperazine-1-carbonyl]thiophen-2-yl]-3-(4-methyl-3-pyridin-3-ylphenyl)urea
• 英文别名: 1-[5-tert-butyl-3-[4-[2-[[3-[3-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-4-[(4-methyl-3-pyridin-3-ylphenyl)carbamoylamino]pyrazol-1-yl]-3-methylbutyl]-methylamino]ethyl]-2,2-dimethyl-3-oxopiperazine-1-carbonyl]thiophen-2-yl]-3-(4-methyl-3-pyridin-3-ylphenyl)urea
• 化学式: C₅₉H₇₃N₁₃O₆S
• 分子量: 1092.4
• InChiKey: SHMFZZWBHLTVLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  79
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  247
• 氢给体数：
  5
• 氢受体数：
  11