HCID10210059

N-[4-[2-[4-(2,4-dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl]cyclopentanecarboxamide

N-[4-[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-3-methylbenzimidazol-5-yl]oxyphenyl]cyclopentanecarboxamide

C31H30N4O5S570.7 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(Oc3ccc(NC(=O)C4CCCC4)cc3)cc21
InChIKey: CVRCPCWIPMRMCY-UHFFFAOYSA-N
分子式: C31H30N4O5S
平均分子量: 570.7 g/mol
单同位素质量: 570.19369124

COMPUTED

结构计算性质

已同步

XLogP: 5.3
极性表面积: 137 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 9
重原子: 41
形式电荷: 0
复杂度: 931

ALIASES

名称与别名

共 5 条

SCHEMBL3244926CVRCPCWIPMRMCY-UHFFFAOYSA-N5-{4-[6-(4-Cyclopentanoylaminophenoxy)-1-methyl-1H-benzimidazole-2-ylmethoxy]benzyl}thiazolidine-2,4-dioneN-[4-[2-[4(2,4-dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl]cyclopentanecarboxamideN-[4-[2-[4-(2,4-dioxothiazolidin-5-ylmethyl)phenoxymethyl]-1-methyl-1H-benzimidazol-6-yloxy]phenyl]cyclopentanecarboxamide

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06562849B1

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2002_08 · 10.6084/m9.figshare.5104873.v1 · US06432993B1

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