HCID473952

5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-(N-methylcarbamoyl)oxymethyl-1H-imidazole

[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl N-methylcarbamate

C16H19Cl2N3O2S388.3 g/molCAS 178979-33-4

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IDENTITY

结构与身份

标准SMILES: CNC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1C
InChIKey: UWGIQPQQGRFVNH-UHFFFAOYSA-N
分子式: C16H19Cl2N3O2S
平均分子量: 388.3 g/mol
单同位素质量: 387.0575034

COMPUTED

结构计算性质

等待补全

XLogP: 4.4
极性表面积: 81.5 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 6
重原子: 24
形式电荷: 0
复杂度: 420

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 8 条

178979-33-45-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-2-(N-methylcarbamoyl)oxymethyl-1H-imidazole(5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methyl methylcarbamateSCHEMBL6975015DTXSID10170647UWGIQPQQGRFVNH-UHFFFAOYSA-N[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-methyl-imidazol-2-yl]methyl N-methylcarbamate{5-[(3,5-Dichlorophenyl)sulfanyl]-1-methyl-4-(propan-2-yl)-1H-imidazol-2-yl}methyl methylcarbamate

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-1999_06 · 10.6084/m9.figshare.5104873.v1 · US05910506

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