HCID71571306

Pf-06282999

2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide

C13H12ClN3O3S325.77 g/molCAS 1435467-37-0

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IDENTITY

结构与身份

标准SMILES: COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
InChIKey: ICYNYWFGIDGBRD-UHFFFAOYSA-N
分子式: C13H12ClN3O3S
平均分子量: 325.77 g/mol
单同位素质量: 325.0287901

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 117 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 4
重原子: 21
形式电荷: 0
复杂度: 497

ALIASES

名称与别名

共 36 条

PF-062829991435467-37-02-(6-(5-Chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamideYO3O4Q2NC82-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide1(2H)-Pyrimidineacetamide, 6-(5-chloro-2-methoxyphenyl)-3,4-dihydro-4-oxo-2-thioxo-2-(6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl)acetamideRefChem:1722492-(6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)acetamideCHEMBL3633460ICYNYWFGIDGBRD-UHFFFAOYSA-NUNII-YO3O4Q2NC8orb1226285orb1303172SCHEMBL14936135GTPL10053GLXC-10690EX-A2535KHC46737BDBM50133595

REACTIONS