HCID22292785

N-trifluoroacetyl-8-iodo-7-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

2,2,2-trifluoro-1-(7-iodo-8-methoxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone

C14H15F3INO2413.17 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc2c(cc1I)C(C)CN(C(=O)C(F)(F)F)CC2
InChIKey: FAROVXHASLWCEP-UHFFFAOYSA-N
分子式: C14H15F3INO2
平均分子量: 413.17 g/mol
单同位素质量: 413.00996

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 29.5 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 1
重原子: 21
形式电荷: 0
复杂度: 391

ALIASES

名称与别名

共 4 条

N-trifluoroacetyl-8-iodo-7-methoxy-1-methyl-2,3,4,5tetrahydro-1H-3-benzazepineSCHEMBL1094266N-trifluoroacetyl-8-iodo-7-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepineN-trifluoroacetyl-8-iodo7-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

REACTIONS

参与反应

24 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID84076

uspto-grants-2014_09

作为反应物

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846906B2

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HRID84087

uspto-grants-2014_09

作为反应物

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846906B2

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HRID182732

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID221240

uspto-grants-2012_06

作为反应物

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207158B2

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HRID221251

uspto-grants-2012_06

作为反应物

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207158B2

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HRID881919

uspto-grants-2015_03

作为反应物

uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08993750B2

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HRID881930

uspto-grants-2015_03

作为反应物

uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08993750B2

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HRID967239

uspto-grants-2005_10

作为反应物

uspto-grants-2005_10 · 10.6084/m9.figshare.5104873.v1 · US06953787B2

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