2-[5-Fluoro-6-methylidene-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2-oxopyrimidin-1-yl]acetic acid;2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,6-dioxopyrimidin-1-yl]acetic acid;2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-3-(trioxidanylsulfanyl)propyl]-2,4-dioxopyrimidin-1-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[5-Fluoro-6-methylidene-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2-oxopyrimidin-1-yl]acetic acid;2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,6-dioxopyrimidin-1-yl]acetic acid;2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-3-(trioxidanylsulfanyl)propyl]-2,4-dioxopyrimidin-1-yl]acetic acid
• 英文别名: 2-[5-fluoro-6-methylidene-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2-oxopyrimidin-1-yl]acetic acid;2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,6-dioxopyrimidin-1-yl]acetic acid;2-[5-methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-3-(trioxidanylsulfanyl)propyl]-2,4-dioxopyrimidin-1-yl]acetic acid
• 化学式: C49H76FN15O17S
• 分子量: 1198.3
• InChiKey: IHAFOTRNIFUXOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.53
• 重原子数：
  83
• 可旋转键数：
  25
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  387
• 氢给体数：
  7
• 氢受体数：
  25