HCID20130628

Isopropyl 2-chloro-4-fluoro-5-{3-[4-(methoxycarbonyl)-2,5-dihydrothien-3-yl]ureido}-benzoate

methyl 4-[(4-chloro-2-fluoro-5-propan-2-yloxycarbonylphenyl)carbamoylamino]-2,5-dihydrothiophene-3-carboxylate

C17H18ClFN2O5S416.9 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C1=C(NC(=O)Nc2cc(C(=O)OC(C)C)c(Cl)cc2F)CSC1
InChIKey: CMVOVZYINZSVNV-UHFFFAOYSA-N
分子式: C17H18ClFN2O5S
平均分子量: 416.9 g/mol
单同位素质量: 416.0608987

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 119 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 7
重原子: 27
形式电荷: 0
复杂度: 630

ALIASES

名称与别名

共 4 条

SCHEMBL10645407CMVOVZYINZSVNV-UHFFFAOYSA-Nisopropyl 2-chloro-4-fluoro-5-{3-[4-(methoxycarbonyl)-2,5-dihydro-thien-3-yl]ureido}-benzoateisopropyl 2-chloro-4-fluoro-5-{3-[4-(methoxycarbonyl)-2,5-dihydrothien-3-yl]ureido}-benzoate

REACTIONS

参与反应

4 条

uspto-grants-1988_07 · 10.6084/m9.figshare.5104873.v1 · US04760163

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uspto-grants-1988_07 · 10.6084/m9.figshare.5104873.v1 · US04760163

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uspto-grants-1988_05 · 10.6084/m9.figshare.5104873.v1 · US04746352

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uspto-grants-1988_05 · 10.6084/m9.figshare.5104873.v1 · US04746352

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