HCID59520488

N-(4,5,6,7-Tetrahydro-benzo[b]thiophen-2-yl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro indazol-1-yl)-acetamide

N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C18H20F3N3OS383.4 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc2c(s1)CCCC2
InChIKey: YBFMRPMKBVTMRW-UHFFFAOYSA-N
分子式: C18H20F3N3OS
平均分子量: 383.4 g/mol
单同位素质量: 383.12791793

COMPUTED

结构计算性质

已同步

XLogP: 4.6
极性表面积: 75.2 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 3
重原子: 26
形式电荷: 0
复杂度: 532

ALIASES

名称与别名

共 3 条

N-(4,5,6,7-Tetrahydro-benzo[b]thiophen-2-yl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro indazol-1-yl)-acetamideSCHEMBL3452806N-(4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydroindazol-1-yl)-acetamide

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2010_10 · 10.6084/m9.figshare.5104873.v1 · US07820707B2

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uspto-grants-2010_10 · 10.6084/m9.figshare.5104873.v1 · US07820707B2

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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