HCID68745

Tazofelone

5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-thiazolidin-4-one

C18H27NO2S321.5 g/molCAS 107902-67-0

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)c1cc(CC2SCNC2=O)cc(C(C)(C)C)c1O
InChIKey: ILMMRHUILQOQGP-UHFFFAOYSA-N
分子式: C18H27NO2S
平均分子量: 321.5 g/mol
单同位素质量: 321.17625028

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 74.6 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 4
重原子: 22
形式电荷: 0
复杂度: 386

ALIASES

名称与别名

共 48 条

Tazofelone136433-51-7ly213829TazofelonaLY-213829VH2I1JN8Q1DTXSID608698575-((3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-4-thiazolidinonetazofelonum5-[[3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-4-thiazolidinoneRefChem:932619DTXCID508177615-(3,5-Di-tert-butyl-4-hydroxy-benzyl)-thiazolidin-4-one107902-67-05-(3,5-Di-tert-butyl-4-hydroxybenzyl)thiazolidin-4-one5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-thiazolidin-4-one4-Thiazolidinone, 5-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, (+-)-Tazofelone (USAN/INN)Tazofelone [USAN:INN]UNII-VH2I1JN8Q1

REACTIONS

参与反应

4 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05731336

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uspto-grants-1992_10 · 10.6084/m9.figshare.5104873.v1 · US05158966

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uspto-grants-1999_12 · 10.6084/m9.figshare.5104873.v1 · US06005142

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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