HCID18918809

3,5-dimethyl-2-[4-(4-hydroxybenzoyl)benzylthio]thieno[2,3-d]pyrimidin-4(3H)-one

2-[[4-(4-hydroxybenzoyl)phenyl]methylsulfanyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one

C22H18N2O3S2422.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1csc2nc(SCc3ccc(C(=O)c4ccc(O)cc4)cc3)n(C)c(=O)c12
InChIKey: FIDKQTYMPZAZOH-UHFFFAOYSA-N
分子式: C22H18N2O3S2
平均分子量: 422.5 g/mol
单同位素质量: 422.07588479

COMPUTED

结构计算性质

已同步

XLogP: 4.7
极性表面积: 124 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 5
重原子: 29
形式电荷: 0
复杂度: 654

ALIASES

名称与别名

共 4 条

SCHEMBL7012693FIDKQTYMPZAZOH-UHFFFAOYSA-N3,5-Dimethyl-2-[4-(4-hydroxybenzoyl)benzylthio]-thieno[2,3-d]pyrimidin-4(3H)-one3,5-dimethyl-2-[4-(4-hydroxybenzoyl)benzylthio]thieno[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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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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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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