HCID54525939

Ethyl 2-(2-tritylaminothiazol-4-yl)-2-allyloxyiminoacetate

ethyl 2-prop-2-enoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate

C29H27N3O3S497.6 g/mol

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IDENTITY

结构与身份

标准SMILES: C=CCON=C(C(=O)OCC)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIKey: YTCSCPYCWAGPGA-UHFFFAOYSA-N
分子式: C29H27N3O3S
平均分子量: 497.6 g/mol
单同位素质量: 497.17731291

COMPUTED

结构计算性质

已同步

XLogP: 7.6
极性表面积: 101 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 12
重原子: 36
形式电荷: 0
复杂度: 682

ALIASES

名称与别名

共 4 条

SCHEMBL9345560YTCSCPYCWAGPGA-UHFFFAOYSA-Nethyl 2-(2-tritylaminothiazol-4-yl)-2-allyloxyiminoacetateethyl 2-(2-tritylamino-4-thiazolyl)-2-(2-propenyloxyimino)-acetate

REACTIONS

参与反应

46 条

uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04220761

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uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04220761

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

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

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uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04152432

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uspto-grants-1983_03 · 10.6084/m9.figshare.5104873.v1 · US04376203

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uspto-grants-1986_08 · 10.6084/m9.figshare.5104873.v1 · US04604456

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uspto-grants-1986_08 · 10.6084/m9.figshare.5104873.v1 · US04604456

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