HCID57690802

Tert-butyl 4-(5-(2-aminonicotinoyl)thiazol-2-yl)-1,4-diazepane-1-carboxylate

tert-butyl 4-[5-(2-aminopyridine-3-carbonyl)-1,3-thiazol-2-yl]-1,4-diazepane-1-carboxylate

C19H25N5O3S403.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CCCN(c2ncc(C(=O)c3cccnc3N)s2)CC1
InChIKey: PKBSMYTUUCTAQX-UHFFFAOYSA-N
分子式: C19H25N5O3S
平均分子量: 403.5 g/mol
单同位素质量: 403.16781085

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 130 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 570

ALIASES

名称与别名

共 6 条

tert-butyl 4-(5-(2-aminonicotinoyl)thiazol-2-yl)-1,4-diazepane-1-carboxylate1042985-96-5SCHEMBL1479067PKBSMYTUUCTAQX-UHFFFAOYSA-NDB-299185Tert-butyl-4-(5-(2-aminonicotinoyl)thiazol-2-yl)-1,4-diazepane-1-carboxylate

REACTIONS

参与反应

3 条

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

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08741931B2

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08188071B2

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