HCID20287838

5,5-Dimethyl-8-(3-methyl-2-octyl)-10-[4-(morpholino)butyryloxy]-5H-[1]benzopyrano[3,4-d]pyridine hydrochloride

[5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-yl] 4-morpholin-4-ylbutanoate;hydrochloride

C31H45ClN2O4545.2 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCCC(C)C(C)c1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)c1ccncc1-2.Cl
InChIKey: KSORVIYPDULCAW-UHFFFAOYSA-N
分子式: C31H45ClN2O4
平均分子量: 545.2 g/mol
单同位素质量: 544.3067856

COMPUTED

结构计算性质

已同步

极性表面积: 60.9 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 12
重原子: 38
形式电荷: 0
复杂度: 709

ALIASES

名称与别名

共 3 条

SCHEMBL11332097KSORVIYPDULCAW-UHFFFAOYSA-N5,5-Dimethyl-8-(3-methyl-2-octyl)-10-[4-(morpholino)butyryloxy]-5H-[1]benzopyrano[3,4-d]pyridine hydrochloride

REACTIONS

参与反应

1 条

uspto-grants-1981_03 · 10.6084/m9.figshare.5104873.v1 · US04254116

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