HCID52913590

8-(1-(3-chloro-2-fluorophenylamino)ethyl)-N-(2-(dimethylamino)ethyl)-2-morpholino-4-oxo-4H-chromene-6-carboxamide

8-[1-(3-chloro-2-fluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C26H30ClFN4O4517 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(Nc1cccc(Cl)c1F)c1cc(C(=O)NCCN(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIKey: BVDGERTYPWXPSJ-UHFFFAOYSA-N
分子式: C26H30ClFN4O4
平均分子量: 517 g/mol
单同位素质量: 516.1939613

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 83.1 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 8
重原子: 36
形式电荷: 0
复杂度: 809

ALIASES

名称与别名

共 6 条

SCHEMBL1638807CHEMBL3656389BVDGERTYPWXPSJ-UHFFFAOYSA-NBDBM119232US8673906, 28-(1-(3-chloro-2-fluorophenylamino)ethyl)-N-(2-(dimethylamino)ethyl)-2-morpholino-4-oxo-4H-chromene-6-carboxamide

REACTIONS

参与反应

3 条

uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09029374B2

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uspto-grants-2014_03 · 10.6084/m9.figshare.5104873.v1 · US08673906B2

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uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08399460B2

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