O-methyl N-[[(5S)-3-[3-fluoro-4-[1-(2-pyrimidin-2-ylsulfanylacetyl)-1,2,5-triazepan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate | 1138148-83-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: O-methyl N-[[(5S)-3-[3-fluoro-4-[1-(2-pyrimidin-2-ylsulfanylacetyl)-1,2,5-triazepan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
• CAS: 1138148-83-0
• 化学式: C₂₂H₂₆FN₇O₄S₂
• 分子量: 535.623
• InChiKey: DZPYCTYYRMWKPD-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  170
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING
  申请人：Suzuki Hideyuki

  公开号：US20100256355A1

  公开（公告）日：2010-10-07

  The present invention provides a novel oxazolidinone derivative of the formula (I): wherein Ring A is (A-1) a 7-membered monocyclic heterocycle containing three N atoms; (A-2) a 7-membered monocyclic heterocycle containing two N atoms and one O atom; or (A-3) a 7-membered monocyclic heterocycle containing two N atoms and one S atom, SO or SO 2 , wherein said monocyclic heterocycle is optionally substituted, optionally unsaturated and optionally fused with another ring; X 1 is a single bond, or a heteroatom-containing group selected from the group consisting of —O—, —S—, —NR 2 —, —CO—, —CS—, —CONR 3 —, —NR 4 CO—, —SO 2 NR 5 —, and —NR 6 SO 2 —, wherein R 2 , R 3 , R 4 , R 5 and R 6 are independently hydrogen or lower alkyl, or lower alkylene or lower alkenylene each optionally interrupted by said heteroatom-containing group; Ring B is optionally substituted carbocycle or optionally substituted heterocycle; and R 1 is hydrogen, or an organic residue which is able to bind to the 5 -position of the oxazolidinone ring in oxazolidinone antimicrobial agents, pharmaceutically acceptable salts and solvates thereof which are useful as an antibacterial agent.
• US8530646B2
  申请人：——

  公开号：US8530646B2

  公开（公告）日：2013-09-10