4-[2-Fluoro-4-[5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1-oxide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 英文名称: 4-[2-Fluoro-4-[5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1-oxide
• 化学式: C₁₆H₁₈FN₅O₂S
• 分子量: 363.4
• InChiKey: IDMMXZFMSGLTEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  91.8
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• Isoxazoline derivatives useful as antimicrobials
  申请人：Betts John Michael

  公开号：US20050119317A1

  公开（公告）日：2005-06-02

  Compounds of the formula (I), or a pharmaceutically-acceptable salt, or an in-vivo-hydrolysable ester thereof, wherein, for example, HET is an N-linked 5-membered, fully or partially unsaturated heterocyclic ring, or HET is an N-linked 6-membered di-hydro-heteroaryl ring; Q is, for example, Q1 or Q2: wherein R 2 and R 3 are independently hydrogen or fluoro; T is selected from a range of groups, for example a group of the formula (TC7) wherein Rc is, for example, hydrogen, R 13 CO—, R 13 SO 2 — or R 13 CS—; wherein R 13 is, for example, optionally substituted (1-10C)alkyl or R 14 C(O)O(1-6C)alkyl wherein R 14 is optionally substituted (1-10C)alkyl; are useful as antibacterial agents; and processes for their manufacture and pharmaceutical compositions containing them are described.

  式(I)的化合物，或其药学上可接受的盐，或其体内可水解的酯，其中，例如，HET是一个N-连接的5元环，完全或部分不饱和的杂环环，或者HET是一个N-连接的6元双氢杂环芳基环；Q是，例如，Q1或Q2：其中R2和R3独立地是氢或氟；T从一系列基团中选择，例如公式（TC7）的基团，其中Rc是，例如，氢，R13CO—，R13SO2—或R13CS—；其中R13是，例如，可选地取代的（1-10C）烷基或R14C（O）O（1-6C）烷基，其中R14是可选地取代的（1-10C）烷基；它们可用作抗菌剂；并描述了其制造过程和包含它们的制药组合物。
• ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS
  申请人：AstraZeneca AB

  公开号：EP1443930A1

  公开（公告）日：2004-08-11
• US7022705B2
  申请人：——

  公开号：US7022705B2

  公开（公告）日：2006-04-04
• [EN] ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS<br/>[FR] DÉRIVÉS D'ISOXAZOLINE UTILISÉS EN TANT QU'AGENTS ANTIMICROBIENS
  申请人：ASTRAZENECA AB

  公开号：WO2003035073A1

  公开（公告）日：2003-05-01

  Compounds of the formula (I), or a pharmaceutically-acceptable salt, or an in-vivo-hydrolysable ester thereof, wherein, for example, HET is an N-linked 5-membered, fully or partially unsaturated heterocyclic ring, or HET is an N-linked 6-membered di-hydro-heteroaryl ring; Q is, for example, Q1 or Q2, wherein R?2 and R3¿ are independently hydrogen or fluoro; T is selected from a range of groups, for example a group of the formula (TC7) wherein Rc is, for example, hydrogen, R13CO-, R¿13?SO2- or R13CS-; wherein R?13¿ is, for example, optionally substituted (1-10C)alkyl or R14C(O)O(1-6C)alkyl wherein R14 is optionally substituted (1-10C)alkyl; are useful as antibacterial agents; and processes for their manufacture and pharmaceutical compositions containing them are described.