HCID117622539

Methyl 4-({2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-3-methylbutanoyl}amino)-2-methylbenzoate

methyl 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-methylbutanoyl]amino]-2-methylbenzoate

C27H26ClN3O5508 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(NC(=O)C(C(C)C)n2cc(OC)c(-c3cc(Cl)ccc3C#N)cc2=O)cc1C
InChIKey: KLTNNASYDZDTOY-UHFFFAOYSA-N
分子式: C27H26ClN3O5
平均分子量: 508 g/mol
单同位素质量: 507.1560986

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 109 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 8
重原子: 36
形式电荷: 0
复杂度: 968

ALIASES

名称与别名

共 3 条

SCHEMBL16137827KLTNNASYDZDTOY-UHFFFAOYSA-NMethyl 4-({2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-3-methylbutanoyl}amino)-2-methylbenzoate

REACTIONS

参与反应

2 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434690B2

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434690B2

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