2,2-Difluoro-1-((4S,5R)-4-fluoromethyl-2,2-dimethyl-5-{4-[6-(2,2,2-trifluoro-1-methylamino-ethyl)-pyridin-3-yl]-phenyl}-oxazolidin-3-yl) ethanone
基本情報
- 標準SMILES
CNC(c1ccc(-c2ccc([C@H]3OC(C)(C)N(C(=O)C(F)F)[C@@H]3CF)cc2)cn1)C(F)(F)F- InChIKey
ZUYYXFINQAWYNE-OWZOALSMSA-N- 分子式
- C22H23F6N3O2
- 平均分子量
- 475.4 g/mol
名称と識別子
- 優先名称
- 2,2-Difluoro-1-((4S,5R)-4-fluoromethyl-2,2-dimethyl-5-{4-[6-(2,2,2-trifluoro-1-methylamino-ethyl)-pyridin-3-yl]-phenyl}-oxazolidin-3-yl) ethanone
- IUPAC
- 2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-[6-[2,2,2-trifluoro-1-(methylamino)ethyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-3-yl]ethanone
名称と別名
2,2-Difluoro-1-((4S,5R)-4-fluoromethyl-2,2-dimethyl-5-{4-[6-(2,2,2-trifluoro-1-methylamino-ethyl)-pyridin-3-yl]-phenyl}-oxazolidin-3-yl) ethanoneSCHEMBL152401812,2-Difluoro-1-((4S,5R)-4-fluoromethyl-2,2-dimethyl-5-{4-[6-(2,2,2-trifluoro-1-methylamino-ethyl)-pyridin-3-yl]-phenyl}-oxazolidin-3-yl)ethanone
データベース識別子
- PubChem CID
- 86695449
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 54.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 10
- 回転可能結合数
- 6
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 669
関連反応
5 件
化合物ノート
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