HCID21404014

tetrahydro-1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-but-3-enyl-6-(N-methyl-N-cyclohexylcarbamoyloxy)-2(1H)-pyrimidinone

[1-but-3-enyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-oxo-1,3-diazinan-4-yl] N-cyclohexyl-N-methylcarbamate

C19H29N5O4S423.5 g/mol

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IDENTITY

结构与身份

标准SMILES: C=CCCN1CCC(OC(=O)N(C)C2CCCCC2)N(c2nnc(OC)s2)C1=O
InChIKey: XGADQQFLVDSRIP-UHFFFAOYSA-N
分子式: C19H29N5O4S
平均分子量: 423.5 g/mol
单同位素质量: 423.1940256

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 116 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 8
重原子: 29
形式电荷: 0
复杂度: 589

ALIASES

名称与别名

共 3 条

SCHEMBL11720020XGADQQFLVDSRIP-UHFFFAOYSA-Ntetrahydro-1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-but-3-enyl-6-(N-methyl-N-cyclohexylcarbamoyloxy)-2(1H)-pyrimidinone

REACTIONS

参与反应

2 条

uspto-grants-1977_10 · 10.6084/m9.figshare.5104873.v1 · US04053298

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uspto-grants-1976_04 · 10.6084/m9.figshare.5104873.v1 · US03951976

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