5-(3,5-Bis(tert-butyl)-4-hydroxyphenyl)methylene-4-thiazolidinone
基本情報
- 標準SMILES
CC(C)(C)c1cc(C=C2SCNC2=O)cc(C(C)(C)C)c1O- InChIKey
BUDGLLLMROWLOB-UHFFFAOYSA-N- 分子式
- C18H25NO2S
- 平均分子量
- 319.5 g/mol
名称と識別子
- 優先名称
- 5-(3,5-Bis(tert-butyl)-4-hydroxyphenyl)methylene-4-thiazolidinone
- IUPAC
- 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
名称と別名
RefChem:9131245-(3,5-Bis(tert-butyl)-4-hydroxyphenyl)methylene-4-thiazolidinone5-[[3,5-Bis(1,1-dimethylethyl)-4hydroxyphenyl]methylene]-4-thiazolidinone5-{[3,5-Bis(1,1-dimethylethyl)-4hydroxyphenyl]methylene]-4-thiazolidinone5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-4-thiazolidinone5-{[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene}-4-thiazolidinoneorb1707029SCHEMBL3263476BUDGLLLMROWLOB-UHFFFAOYSA-N5-(3,5-Di-tert-butyl-4-hydroxybenzylidene)thiazolidin-4-one(E)-5-(3,5-Di-tert-butyl-4-hydroxybenzylidene)thiazolidin-4-one(5-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene-4-thiazolidinone)
名称をさらに表示
5-[[3,5-Bis(1,1-dimethylethyl) -4-hydroxyphenyl]methylene]-4-thiazolidinone
データベース識別子
- PubChem CID
- 130003
物性
構造計算による物性
- XLogP
- 5.2
- 極性表面積
- 74.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 435
化学と産業
薬理情報
MeSH Pharmacological ClassificationCompounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.
関連反応
20 件
化合物ノート
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