当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_125055,ZINC00182171,EU-0071303, 2-[(5,6-dimethyl-1H-benzimidazo

Oprea1_125055,ZINC00182171,EU-0071303, 2-[(5,6-dimethyl-1H-benzimidazo

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:3
摘 要:Oprea1_125055,ZINC00182171,EU-0071303, 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-phenylethanone,Canonical SMILES: CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)C3=CC=CC=C3,InChI: InChI=1/C17H16N2OS/c1-11-8-14-15(9-12(11)2)19-17(18-14)21-10-16(20)13-6-,4-3-5-
[Synonyms]
Oprea1_125055
ZINC00182171
EU-0071303

[Structure]
Oprea1_125055,ZINC00182171,EU-0071303, 2-[(5,6-dimethyl-1H-benzimidazo

[ Properties Computed from Structure]
Molecular Weight296.38674 [g/mol]
Molecular FormulaC17H16N2OS
XLogP4
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count2
Exact Mass296.098334
MonoIsotopic Mass296.098334
Topological Polar Surface Area45.8
Heavy Atom Count21
Formal Charge0
Complexity370
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: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-phenylethanone
Canonical SMILES: CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)C3=CC=CC=C3
InChI: InChI=1/C17H16N2OS/c1-11-8-14-15(9-12(11)2)19-17(18-14)21-10-16(20)13-6-
4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,19)/f/h18H

 
本文导航:
  • (1) Oprea1_125055,ZINC00182171,EU-0071303, 2-[(5,6-dimethyl-1H-benzimidazo
  • 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