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

HCID 130003

기본 정보

표준 SMILES: CC(C)(C)c1cc(C=C2SCNC2=O)cc(C(C)(C)C)c1O
InChIKey: BUDGLLLMROWLOB-UHFFFAOYSA-N
분자식: C18H25NO2S
평균 분자량: 319.5 g/mol

이름 및 식별자

우선 이름: 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

이름 및 동의어

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)

이름 더 보기

5-[[3,5-Bis(1,1-dimethylethyl) -4-hydroxyphenyl]methylene]-4-thiazolidinone

데이터베이스 식별자

PubChem CID: 130003

물성

구조 계산 물성

XLogP: 5.2
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 22
형식 전하: 0
복잡도: 435

화학 및 산업

약리 정보

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.