HCID474106

1H-Imidazole-1-ethanol, 5-((3,5-dichlorophenyl)thio)-2-(hydroxymethyl)-alpha,alpha-dimethyl-4-(1-methylethyl)-

1-[5-(3,5-dichlorophenyl)sulfanyl-2-(hydroxymethyl)-4-propan-2-ylimidazol-1-yl]-2-methylpropan-2-ol

C17H22Cl2N2O2S389.3 g/molCAS 178980-48-8

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IDENTITY

结构与身份

标准SMILES: CC(C)c1nc(CO)n(CC(C)(C)O)c1Sc1cc(Cl)cc(Cl)c1
InChIKey: HUDHUNCDOYEPGH-UHFFFAOYSA-N
分子式: C17H22Cl2N2O2S
平均分子量: 389.3 g/mol
单同位素质量: 388.0779045

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 83.6 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 6
重原子: 24
形式电荷: 0
复杂度: 404

ALIASES

名称与别名

共 9 条

178980-48-81H-Imidazole-1-ethanol, 5-((3,5-dichlorophenyl)thio)-2-(hydroxymethyl)-alpha,alpha-dimethyl-4-(1-methylethyl)-SCHEMBL6973061DTXSID50939159HUDHUNCDOYEPGH-UHFFFAOYSA-N1-[5-(3,5-dichlorophenyl)sulfanyl-2-(hydroxymethyl)-4-isopropyl-imidazol-1-yl]-2-methyl-propan-2-ol1-{5-[(3,5-Dichlorophenyl)sulfanyl]-2-(hydroxymethyl)-4-(propan-2-yl)-1H-imidazol-1-yl}-2-methylpropan-2-ol1H-Imidazole-1-ethanol, 5-[(3,5-dichlorophenyl)thio]-2-(hydroxymethyl)-.alpha.,.alpha.-dimethyl-4-(1-methylethyl)-5-(3,5-dichlorophenylthio)-2-hydroxymethyl-1-(2-hydroxy-2-methylpropyl)-4-isopropyl-1H-imidazole

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2000_11 · 10.6084/m9.figshare.5104873.v1 · US06147097

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