5-(3,5-Bis(tert-butyl)-4-hydroxyphenyl)methylene-4-thiazolidinone

HCID 130003

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 Å²
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.