2-[(1S)-1-methylpropyl]-4-[4-[4-[4-[[(2R,4R)-2-(2-pyridyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-[(1S)-1-methylpropyl]-4-[4-[4-[4-[[(2R,4R)-2-(2-pyridyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
• 英文别名: 2-[(2S)-butan-2-yl]-4-[4-[4-[4-[[(2R,4R)-2-pyridin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
• 化学式: C₃₄H₃₉N₉O₄
• 分子量: 637.7
• InChiKey: VUPFLEKDKQPJKT-GAZVHPIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  47
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  10

文献信息

• AZOLE DERIVATIVE USEFUL AS ANTIFUNGAL AGENTS WITH REDUCED INTERACTION WITH METABOLIC CYTOCHROMES
  申请人：ITALFARMACO S.p.A.

  公开号：EP1673368B1

  公开（公告）日：2010-04-07
• Azole derivative useful as antifungal agents with reduced interaction with metabolic cytochromes
  申请人：Pinori Massimo

  公开号：US20070129376A1

  公开（公告）日：2007-06-07

  The present invention relates to novel compounds, of the general formula (I), the N-oxide forms thereof, the salts thereof with pharmaceutically acceptable acids and the stereochemical isomers thereof, which are useful as antifungal agents; to pharmaceutical compositions containing such compounds as the active ingredient; to methods for the production of said compounds and the associated pharmaceutical compositions.
• US7427620B2
  申请人：——

  公开号：US7427620B2

  公开（公告）日：2008-09-23