Methyl 3-methyl-7-methylidene-5,5,8-trioxo-4-propan-2-ylidene-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;methyl 3-methyl-5,5,8-trioxo-4,7-di(propan-2-ylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;methyl 3-methyl-5,5,8-trioxo-7-propan-2-ylidene-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Methyl 3-methyl-7-methylidene-5,5,8-trioxo-4-propan-2-ylidene-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;methyl 3-methyl-5,5,8-trioxo-4,7-di(propan-2-ylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;methyl 3-methyl-5,5,8-trioxo-7-propan-2-ylidene-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• 英文别名: methyl 3-methyl-7-methylidene-5,5,8-trioxo-4-propan-2-ylidene-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;methyl 3-methyl-5,5,8-trioxo-4,7-di(propan-2-ylidene)-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;methyl 3-methyl-5,5,8-trioxo-7-propan-2-ylidene-5λ6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• 化学式: C40H49N3O15S3
• 分子量: 908.0
• InChiKey: XHGYRIKBFWLHRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.91
• 重原子数：
  61
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  267
• 氢给体数：
  0
• 氢受体数：
  15