(3S,4R,5R)-4-acetamido-5-(1-ethyl-propoxy)-3-[4-(1-hydroxypropyl)[1,2,3]triazol-1-yl]cyclohex-1-ene-1-carboxylic acid | 1234466-15-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (3S,4R,5R)-4-acetamido-5-(1-ethyl-propoxy)-3-[4-(1-hydroxypropyl)[1,2,3]triazol-1-yl]cyclohex-1-ene-1-carboxylic acid
• 英文别名: 4-acetylamino-5-(1-ethyl-propoxy)-3-[4-(1-hydroxy-propyl)-[1,2,3]triazol-1-yl]-cyclohex-1-enecarboxylic acid；(3S,4R,5R)-4-acetamido-3-[4-(1-hydroxypropyl)triazol-1-yl]-5-pentan-3-yloxycyclohexene-1-carboxylic acid
• CAS: 1234466-15-9
• 化学式: C₁₉H₃₀N₄O₅
• 分子量: 394.471
• InChiKey: GDVDNLLDXBKKJO-STVSHKFMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  127
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• COMPOUNDS AND METHODS FOR TREATMENT OF INFLUENZA
  申请人：Pinto Brian Mario

  公开号：US20120010254A1

  公开（公告）日：2012-01-12

  The present invention provides in part a compound of Formula (I) or a pharmaceutically-acceptable salt or stereoisomer thereof: where R 1 is selected from the group consisting of a substituted triazole group, a guanidine group, a urea group, a thiourea group, an amidine group, and N 3 ; and R 2 is selected from the group consisting of H, Me, Et and an amino acid, and methods and uses thereof.