HCID71469063

Methyl 2-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)thieno[2,3-b]pyri dine-5-carboxylate

methyl 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]thieno[2,3-b]pyridine-5-carboxylate

C19H11Cl2F3N2O3S475.3 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cnc2sc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2c1
InChIKey: IATOYJYKQCVDJJ-UHFFFAOYSA-N
分子式: C19H11Cl2F3N2O3S
平均分子量: 475.3 g/mol
单同位素质量: 473.9819533

COMPUTED

结构计算性质

已同步

XLogP: 6
极性表面积: 89 Å²
氢键供体: 0
氢键受体: 9
可旋转键: 4
重原子: 30
形式电荷: 0
复杂度: 703

ALIASES

名称与别名

共 3 条

methyl 2-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)thieno[2,3-b]pyri dine-5-carboxylateSCHEMBL13858069methyl 2-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)thieno[2,3-b]pyridine-5-carboxylate

REACTIONS

参与反应

3 条

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08648081B2

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08889710B2

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uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09255111B2

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