HCID59351692

4'-{[6-cyclopropyl-3-(2,4-dimethoxybenzyl)-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

2-[4-[[6-cyclopropyl-3-[(2,4-dimethoxyphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]methyl]phenyl]benzonitrile

C32H27N3O4S549.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(Cn2c(=O)c3cc(C4CC4)sc3n(Cc3ccc(-c4ccccc4C#N)cc3)c2=O)c(OC)c1
InChIKey: QANIGGHPXRZZSL-UHFFFAOYSA-N
分子式: C32H27N3O4S
平均分子量: 549.6 g/mol
单同位素质量: 549.17222752

COMPUTED

结构计算性质

已同步

XLogP: 5.7
极性表面积: 111 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 8
重原子: 40
形式电荷: 0
复杂度: 972

ALIASES

名称与别名

共 3 条

SCHEMBL2774833QANIGGHPXRZZSL-UHFFFAOYSA-N4'-{[6-cyclopropyl-3-(2,4-dimethoxybenzyl)-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}biphenyl-2-carbonitrile

REACTIONS

参与反应

2 条

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

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uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08501750B2

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