5-(3,5-Bis(tert-butyl)-4-hydroxyphenyl)methylene-4-thiazolidinone
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 Ų
- 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.
관련 반응
20건
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