HCID15480008

1-(4'-Fluorobiphenyl-4-sulfonylamino)cyclopentanecarboxylic acid benzyl ester

benzyl 1-[[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylate

C25H24FNO4S453.5 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(OCc1ccccc1)C1(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CCCC1
InChIKey: SJDBHMSPDQECHB-UHFFFAOYSA-N
分子式: C25H24FNO4S
平均分子量: 453.5 g/mol
单同位素质量: 453.14100758

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 80.9 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 8
重原子: 32
形式电荷: 0
复杂度: 709

ALIASES

名称与别名

共 4 条

SCHEMBL4614895SJDBHMSPDQECHB-UHFFFAOYSA-N1-(4'-fluorobiphenyl-4-sulfonylamino) cyclopentanecarboxylic acid benzyl ester1-(4'-fluorobiphenyl-4-sulfonylamino)cyclopentanecarboxylic acid benzyl ester

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2000_08 · 10.6084/m9.figshare.5104873.v1 · US06107337

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uspto-grants-2000_08 · 10.6084/m9.figshare.5104873.v1 · US06107337

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