HCID59534005

Dibenzyl[(3,5-dichloro-phenylsulphonylamino)-methyl]-phosphonate

N-[bis(phenylmethoxy)phosphorylmethyl]-3,5-dichlorobenzenesulfonamide

C21H20Cl2NO5PS500.3 g/mol

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IDENTITY

结构与身份

标准SMILES: O=P(CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)(OCc1ccccc1)OCc1ccccc1
InChIKey: NUWIVSAHKXUNQQ-UHFFFAOYSA-N
分子式: C21H20Cl2NO5PS
平均分子量: 500.3 g/mol
单同位素质量: 499.0176863

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 90.1 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 10
重原子: 31
形式电荷: 0
复杂度: 656

ALIASES

名称与别名

共 4 条

SCHEMBL2055340NUWIVSAHKXUNQQ-UHFFFAOYSA-Ndibenzyl [(3,5-dichloro-phenylsulphonylamino)-methyl]-phosphonatedibenzyl[(3,5-dichloro-phenylsulphonylamino)-methyl]-phosphonate

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08163911B2

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