3-Ethyl-5-[22-hydroxy-23-[3-(2-hydroxy-2-methoxyethyl)-1-(methylaminomethyl)cyclopentyl]oxy-7-[(4-hydroxy-3-methoxyphenyl)methyl]-19-methylimino-6-oxospiro[15,16-dithia-18,20-diazatetracyclo[19.3.1.07,11.08,14]pentacosa-1(25),4,12,21,23-pentaene-2,1'-cyclopentane]-3-yl]pentanal

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-Ethyl-5-[22-hydroxy-23-[3-(2-hydroxy-2-methoxyethyl)-1-(methylaminomethyl)cyclopentyl]oxy-7-[(4-hydroxy-3-methoxyphenyl)methyl]-19-methylimino-6-oxospiro[15,16-dithia-18,20-diazatetracyclo[19.3.1.07,11.08,14]pentacosa-1(25),4,12,21,23-pentaene-2,1'-cyclopentane]-3-yl]pentanal
• 英文别名: 3-ethyl-5-[22-hydroxy-23-[3-(2-hydroxy-2-methoxyethyl)-1-(methylaminomethyl)cyclopentyl]oxy-7-[(4-hydroxy-3-methoxyphenyl)methyl]-19-methylimino-6-oxospiro[15,16-dithia-18,20-diazatetracyclo[19.3.1.07,11.08,14]pentacosa-1(25),4,12,21,23-pentaene-2,1'-cyclopentane]-3-yl]pentanal
• 化学式: C₅₁H₇₂N₄O₈S₂
• 分子量: 933.3
• InChiKey: PYVKZEPYFHMRAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  65
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  222
• 氢给体数：
  6
• 氢受体数：
  12