HCID71283226

(S)-tert-butyl 2-(4-(4-fluorophenoxy)phenyl)-6-((1-methoxy-1-oxopropan-2-yl)amino)pyrimidine-4-carboxylate

tert-butyl 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]pyrimidine-4-carboxylate

C25H26FN3O5467.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)[C@H](C)Nc1cc(C(=O)OC(C)(C)C)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIKey: YDNVVJZFWYOHDV-HNNXBMFYSA-N
分子式: C25H26FN3O5
平均分子量: 467.5 g/mol
单同位素质量: 467.1856491

COMPUTED

结构计算性质

已同步

XLogP: 5.3
极性表面积: 99.6 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 10
重原子: 34
形式电荷: 0
复杂度: 672

ALIASES

名称与别名

共 6 条

CHEMBL3904821SCHEMBL14743211YDNVVJZFWYOHDV-HNNXBMFYSA-NBDBM185943US9163008, 32(S)-tert-butyl 2-(4-(4-fluorophenoxy)phenyl)-6-((1-methoxy-1-oxopropan-2-yl)amino)pyrimidine-4-carboxylate

REACTIONS

参与反应

2 条

uspto-grants-2015_10 · 10.6084/m9.figshare.5104873.v1 · US09163008B2

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uspto-grants-2015_10 · 10.6084/m9.figshare.5104873.v1 · US09163008B2

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