HCID18919239

2-[4-(4-Acetoxybenzoyl)benzylthio]-3,5-dimethylthieno[2,3-d]pyrimidin-4(3H)-one

[4-[4-[(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoyl]phenyl] acetate

C24H20N2O4S2464.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)Oc1ccc(C(=O)c2ccc(CSc3nc4scc(C)c4c(=O)n3C)cc2)cc1
InChIKey: VGTIMMRYGWCWGI-UHFFFAOYSA-N
分子式: C24H20N2O4S2
平均分子量: 464.6 g/mol
单同位素质量: 464.08644947

COMPUTED

结构计算性质

已同步

XLogP: 4.8
极性表面积: 130 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 7
重原子: 32
形式电荷: 0
复杂度: 757

ALIASES

名称与别名

共 4 条

SCHEMBL7016471VGTIMMRYGWCWGI-UHFFFAOYSA-N2-[4-(4-acetoxybenzoyl)benzylthio]-3,5-dimethylthieno [2,3-d]pyrimidin-4(3H)-one2-[4-(4-Acetoxybenzoyl)benzylthio]-3,5-dimethylthieno[2,3-d]pyrimidin-4(3H)-one

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 (5/10) · 10.1039/C8SC04228D

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uspto-grants-1998_05 · 10.6084/m9.figshare.5104873.v1 · US05753664

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uspto-grants-1998_05 · 10.6084/m9.figshare.5104873.v1 · US05753664

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