7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)pyridin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-sulfamoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)pyridin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• 化学式: C83H77F3N22O13S
• 分子量: 1679.7
• InChiKey: ZFUPAUMZSQAXHN-DZEJHFGJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.37
• 重原子数：
  122
• 可旋转键数：
  19
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  469
• 氢给体数：
  7
• 氢受体数：
  28