HCID73855023

N-{4-[3-Benzyl-5-(3-methyl-3H-benzothiazol-2-ylidene)-4-oxothiazolidin-2-ylideneamino]-3-ethylaminophenyl}acetamide

N-[4-[[3-benzyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-(ethylamino)phenyl]acetamide

C28H27N5O2S2529.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CCNc1cc(NC(C)=O)ccc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1Cc1ccccc1
InChIKey: YYKUYRQFIBVDRK-UHFFFAOYSA-N
分子式: C28H27N5O2S2
平均分子量: 529.7 g/mol
单同位素质量: 529.16061747

COMPUTED

结构计算性质

已同步

XLogP: 5.4
极性表面积: 128 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 6
重原子: 37
形式电荷: 0
复杂度: 918

ALIASES

名称与别名

共 3 条

SCHEMBL2342529YYKUYRQFIBVDRK-UHFFFAOYSA-NN-{4-[3-Benzyl-5-(3-methyl-3H-benzothiazol-2-ylidene)-4-oxothiazolidin-2-ylideneamino]-3-ethylaminophenyl}acetamide

REACTIONS

参与反应

3 条

uspto-grants-2006_10 · 10.6084/m9.figshare.5104873.v1 · US07115640B2

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uspto-grants-2004_02 · 10.6084/m9.figshare.5104873.v1 · US06696473B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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