2-(1-oxo-3,4,5,6,7,8-hexahydrobenzothieno[2,3-c]pyridin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Acetate
基本情報
- 標準SMILES
CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1N1CCc2c(sc3c2CCCC3)C1=O- InChIKey
KAPRKDLMBGAOSM-UHFFFAOYSA-N- 分子式
- C26H32BNO5S
- 平均分子量
- 481.4 g/mol
名称と識別子
- 優先名称
- 2-(1-oxo-3,4,5,6,7,8-hexahydrobenzothieno[2,3-c]pyridin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Acetate
- IUPAC
- [2-(1-oxo-3,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-c]pyridin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
名称と別名
SCHEMBL1392684KAPRKDLMBGAOSM-UHFFFAOYSA-N(2-{6-oxo-8-thia-5-azatricyclo-[7.4.0.02,7]-trideca-1(9),2(7)-dien-5-yl}-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl acetate(2-{6-oxo-8-thia-5-azatricyclo-[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl}-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl acetate2-(1-oxo-3,4,5,6,7,8-hexahydrobenzothieno[2,3-c]pyridin-2(1H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Acetate
データベース識別子
- PubChem CID
- 58043718
物性
構造計算による物性
- 極性表面積
- 93.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 790
関連反応
22 件
化合物ノート
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