基本情報
- 標準SMILES
CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1- InChIKey
QBSFHOMPPMKXAV-UHFFFAOYSA-N- 分子式
- C14H20F3NO7S
- 平均分子量
- 403.37 g/mol
名称と識別子
- 優先名称
- 1-(tert-Butyl) 3-ethyl 4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydropyridine-1,3(2H)-dicarboxylate
- IUPAC
- 1-O-tert-butyl 5-O-ethyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
名称と別名
176525-98-71-(tert-Butyl) 3-ethyl 4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydropyridine-1,3(2H)-dicarboxylateMFCD209220481,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-4-[[(trifluoromethyl)sulfonyl]oxy]-, 1-(1,1-dimethylethyl) 3-ethyl ester1-O-tert-butyl 5-O-ethyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate1-tert-butyl 3-ethyl 4-(((trifluoromethyl)sulfonyl)oxy)-5,6-dihydropyridine-1,3(2H)-dicarboxylate4-Trifluoromethanesulfonyloxy-5,6-dihydro-2H-pyridine-1,3-dicarboxylic Acid 1-tert-butyl Ester 3-ethyl Ester1-tert-butyl 3-ethyl 4-{[(trifluoromethyl)sulfonyl]oxy}-5,6-dihydropyridine-1,3(2H)-dicarboxylateSCHEMBL556981C14H20F3NO7S1-tert-butyl 3-ethyl 4-(trifluoromethanesulfonyloxy)-1,2,5,6-tetrahydropyridine-1,3-dicarboxylateCS-0100171
名称をさらに表示
G81170A1-017251-(1,1-dimethylethyl) 3-ethyl 4-{[(trifluoromethyl)sulfonyl]oxy}-5,6-dihydro-1,3(2H)-pyridinedicarboxylate1-tert-butyl 3-ethyl 4-{[(trifluoromethyl)-sulfonyl]oxy}-5,6-dihydropyridine-1,3(2H)-dicarboxylate1-tert-Butyl 3-ethyl 4-{[(trifluoromethyl)sulfonyl]oxy}-5,6-dihydropyridin-1,3(2H)-dicarboxylateO1-tert-butyl O5-ethyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
データベース識別子
- PubChem CID
- 22228409
- Nikkaji
- J3.509.858E
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 108 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 10
- 回転可能結合数
- 7
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 687
関連反応
8 件
化合物ノート
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