当前位置: 首页 » 资料 » 化学物质数据库 » ChemDiv1_018306,Oprea1_027797,ZINC00036871,ZINC04555746,A2694/0114740,

ChemDiv1_018306,Oprea1_027797,ZINC00036871,ZINC04555746,A2694/0114740,

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:9
摘 要:ChemDiv1_018306,Oprea1_027797,ZINC00036871,ZINC04555746,A2694/0114740,4-(3H-Imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-6-piperidin-1-yl-[1,3,5]triazin-2-ylamine, 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-6-piperidin-1-yl-1,3,,5-triazin-2-amine,C
[Synonyms]
ChemDiv1_018306
Oprea1_027797
ZINC00036871
ZINC04555746
A2694/0114740
4-(3H-Imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-6-piperidin-1-yl-[1,3,5]triazin-2-ylamine

[Structure]
ChemDiv1_018306,Oprea1_027797,ZINC00036871,ZINC04555746,A2694/0114740,

[ Properties Computed from Structure]
Molecular Weight342.42202 [g/mol]
Molecular FormulaC15H18N8S
XLogP1.7
H-Bond Donor2
H-Bond Acceptor8
Rotatable Bond Count4
Tautomer Count12
Exact Mass342.137513
MonoIsotopic Mass342.137513
Topological Polar Surface Area110
Heavy Atom Count24
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-6-piperidin-1-yl-1,3,
5-triazin-2-amine
Canonical SMILES: C1CCN(CC1)C2=NC(=NC(=N2)CSC3=NC4=C(N3)C=CC=N4)N
InChI: InChI=1/C15H18N8S/c16-13-19-11(20-14(22-13)23-7-2-1-3-8-23)9-24-15-18-
10-5-4-6-17-12(10)21-15/h4-6H,1-3,7-9H2,(H,17,18,21)(H2,16,19,20,
22)/f/h18H,16H2

 
本文导航:
  • (1) ChemDiv1_018306,Oprea1_027797,ZINC00036871,ZINC04555746,A2694/0114740,
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注