HCID398162

2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile

2-amino-6-benzylsulfanyl-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile

C20H14N4OS358.4 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccc(O)cc1
InChIKey: IFPNWUPLRFRCRO-UHFFFAOYSA-N
分子式: C20H14N4OS
平均分子量: 358.4 g/mol
单同位素质量: 358.08883226

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 132 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 4
重原子: 26
形式电荷: 0
复杂度: 553

ALIASES

名称与别名

共 23 条

221178-97-82-amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile2-amino-6-(benzylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrileNSC707694ChemDiv1_005833Oprea1_087599Oprea1_430539SCHEMBL3597566CHEMBL1984635HMS603J03IFPNWUPLRFRCRO-UHFFFAOYSA-NCCG-17727STL1157672-amino-6-benzylsulfanyl-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrileAKOS000522909NSC-707694NCI60_038235ST051022SR-01000452336SR-01000452336-1

REACTIONS

参与反应

1 条

uspto-grants-2014_04 · 10.6084/m9.figshare.5104873.v1 · US08691850B2

查看