[6-[Bis[2-(methylcarbamoylamino)ethyl]amino]-9-(2-carboxyphenyl)xanthen-3-ylidene]-bis[2-(methylcarbamoylamino)ethyl]azanium;1-[2-[[6'-[bis[2-(methylcarbamoylamino)ethyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]-[2-(methylcarbamoylamino)ethyl]amino]ethyl]-3-methylurea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: [6-[Bis[2-(methylcarbamoylamino)ethyl]amino]-9-(2-carboxyphenyl)xanthen-3-ylidene]-bis[2-(methylcarbamoylamino)ethyl]azanium;1-[2-[[6'-[bis[2-(methylcarbamoylamino)ethyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]-[2-(methylcarbamoylamino)ethyl]amino]ethyl]-3-methylurea
• 英文别名: [6-[bis[2-(methylcarbamoylamino)ethyl]amino]-9-(2-carboxyphenyl)xanthen-3-ylidene]-bis[2-(methylcarbamoylamino)ethyl]azanium;1-[2-[[6'-[bis[2-(methylcarbamoylamino)ethyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]-[2-(methylcarbamoylamino)ethyl]amino]ethyl]-3-methylurea
• 化学式: C72H93N20O14+
• 分子量: 1462.6
• InChiKey: QBRYCBOIBMXRMZ-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.78
• 重原子数：
  106
• 可旋转键数：
  29
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  424
• 氢给体数：
  17
• 氢受体数：
  17