[2-[4-[[3-[[2-[3-[[8-[[1-[2-[2,6-Dimethyl-3-[[4-[2-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methoxycarbonyl]hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]pyridin-1-ium-3-carbonyl]amino]octylamino]oxymethyl]pyridin-1-ium-1-yl]acetyl]amino]-2,4-dimethylphenyl]sulfonylamino]phenyl]hydrazinyl] 2-(4-phenyl-5-sulfanylidenetetrazol-1-yl)acetate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [2-[4-[[3-[[2-[3-[[8-[[1-[2-[2,6-Dimethyl-3-[[4-[2-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methoxycarbonyl]hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]pyridin-1-ium-3-carbonyl]amino]octylamino]oxymethyl]pyridin-1-ium-1-yl]acetyl]amino]-2,4-dimethylphenyl]sulfonylamino]phenyl]hydrazinyl] 2-(4-phenyl-5-sulfanylidenetetrazol-1-yl)acetate
• 英文别名: [2-[4-[[3-[[2-[3-[[8-[[1-[2-[2,6-dimethyl-3-[[4-[2-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methoxycarbonyl]hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]pyridin-1-ium-3-carbonyl]amino]octylamino]oxymethyl]pyridin-1-ium-1-yl]acetyl]amino]-2,4-dimethylphenyl]sulfonylamino]phenyl]hydrazinyl] 2-(4-phenyl-5-sulfanylidenetetrazol-1-yl)acetate
• 化学式: C70H78N20O12S4+2
• 分子量: 1519.8
• InChiKey: DXPLDRMXSJYLLM-UHFFFAOYSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  106
• 可旋转键数：
  38
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  453
• 氢给体数：
  10
• 氢受体数：
  24