基本情報
- 標準SMILES
CCOC(=O)CC1(O)CCC(C)(C)c2ccc(N=Nc3ccc(C(=O)OCC)cc3)cc21- InChIKey
REGAIVJACOAKSK-UHFFFAOYSA-N- 分子式
- C25H30N2O5
- 平均分子量
- 438.5 g/mol
名称と識別子
- 優先名称
- (+/-) Ethyl 4-[(5,5-dimethyl-8-hydroxy-8-carbethoxymethy5,6,7,8-tetrahydronaphth-2-yl)azo]benzoate
- IUPAC
- ethyl 4-[[8-(2-ethoxy-2-oxoethyl)-8-hydroxy-5,5-dimethyl-6,7-dihydronaphthalen-2-yl]diazenyl]benzoate
名称と別名
SCHEMBL6297429SCHEMBL6297432REGAIVJACOAKSK-UHFFFAOYSA-N(+/-) Ethyl 4-[(5,5-dimethyl-8-hydroxy-8-carbethoxymethy5,6,7,8-tetrahydronaphth-2-yl)azo]benzoate(+/-) Ethyl 4-[(5,5-dimethyl-8-hydroxy-8-carbethoxymethyl-5,6,7,8 tetrahydronaphth-2-yl)azo]benzoate(+/-) Ethyl 4-[(5,5-dimethyl-8-hydroxy-8-carbethoxymethyl-5,6,7,8-tetrahydronaphth-2-yl)azo]benzoate(+/-) ethyl 4-[(5,5-dimethyl-8hydroxy-8-carbethoxymethyl-5,6,7,8-tetrahydronaphth-2-yl)azo]benzoate(+/-) ethyl 4[(5,5-dimethyl-8-hydroxy-8-carbethoxymethyl-5,6,7,8-tetrahydronaphth-2-yl)azo]benzoate(+/-)ethyl 4-[(5,5-dimethyl-8-hydroxy-8-carbethoxymethyl-5,6,7,8-tetrahydronaphth-2-yl)azo]benzoate
データベース識別子
- PubChem CID
- 22571557
物性
構造計算による物性
- XLogP
- 5.3
- 極性表面積
- 97.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 9
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 686
関連反応
26 件
関連ノート
読み込み中…