HCID23435596

5(2-Methylspiro[4H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)-4 methyl-2-thiophenecarbonitrile

4-methyl-5-(2-methylspiro[3,1-benzoxazine-4,1'-cyclopentane]-6-yl)thiophene-2-carbonitrile

C19H18N2OS322.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1=Nc2ccc(-c3sc(C#N)cc3C)cc2C2(CCCC2)O1
InChIKey: FCVUJPLZDYLBLB-UHFFFAOYSA-N
分子式: C19H18N2OS
平均分子量: 322.4 g/mol
单同位素质量: 322.11398438

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 73.6 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 23
形式电荷: 0
复杂度: 545

ALIASES

名称与别名

共 5 条

SCHEMBL7484171FCVUJPLZDYLBLB-UHFFFAOYSA-N5(2-Methylspiro[4H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)-4 methyl-2-thiophenecarbonitrile5-(2-Methylspiro[4H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)-4 methyl-2-thiophenecarbonitrile5-(2-Methylspiro[4H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)-4-methyl-2-thiophenecarbonitrile

REACTIONS

参与反应

4 条

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06358948B1

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2004_02 · 10.6084/m9.figshare.5104873.v1 · US06693103B2

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uspto-grants-2002_12 · 10.6084/m9.figshare.5104873.v1 · US06498154B1

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