HCID59570656

(4-Chloro-phenyl)-[6-(6-methyl-pyridin-2-yl)-pyrazin-2-yl]-carbamic acid tert-butyl ester

tert-butyl N-(4-chlorophenyl)-N-[6-(6-methyl-2-pyridinyl)pyrazin-2-yl]carbamate

C21H21ClN4O2396.9 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cccc(-c2cncc(N(C(=O)OC(C)(C)C)c3ccc(Cl)cc3)n2)n1
InChIKey: VZSGTFNHTKSTAD-UHFFFAOYSA-N
分子式: C21H21ClN4O2
平均分子量: 396.9 g/mol
单同位素质量: 396.1353036

COMPUTED

结构计算性质

等待补全

XLogP: 4.1
极性表面积: 68.2 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 519

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 5 条

(4-chloro-phenyl)-[6-(6-methyl-pyridin-2-yl)-pyrazin-2-yl]-carbamic acid tert-butyl ester1133082-96-8SCHEMBL2891573VZSGTFNHTKSTAD-UHFFFAOYSA-NDB-309981

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08415358B2

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uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08415358B2

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Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D

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