当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_100738,Oprea1_413256, N-cyclohexyl-2-[5-(3,4-diethoxyphenyl)tet

Oprea1_100738,Oprea1_413256, N-cyclohexyl-2-[5-(3,4-diethoxyphenyl)tet

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要:Oprea1_100738,Oprea1_413256, N-cyclohexyl-2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]acetamide,Canonical SMILES: CCOC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NC3CCCCC3)OCC,InChI: InChI=1/C19H27N5O3/c1-3-26-16-11-10-14(12-17(16)27-4-2)19-21-23-24(22-,19)13-18(25)20-
[Synonyms]
Oprea1_100738
Oprea1_413256

[Structure]
Oprea1_100738,Oprea1_413256, N-cyclohexyl-2-[5-(3,4-diethoxyphenyl)tet

[ Properties Computed from Structure]
Molecular Weight373.44938 [g/mol]
Molecular FormulaC19H27N5O3
XLogP3.6
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count8
Tautomer Count2
Exact Mass373.21139
MonoIsotopic Mass373.21139
Topological Polar Surface Area91.2
Heavy Atom Count27
Formal Charge0
Complexity461
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: N-cyclohexyl-2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]acetamide
Canonical SMILES: CCOC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NC3CCCCC3)OCC
InChI: InChI=1/C19H27N5O3/c1-3-26-16-11-10-14(12-17(16)27-4-2)19-21-23-24(22-
19)13-18(25)20-15-8-6-5-7-9-15/h10-12,15H,3-9,13H2,1-2H3,(H,20,
25)/f/h20H

 
本文导航:
  • (1) Oprea1_100738,Oprea1_413256, N-cyclohexyl-2-[5-(3,4-diethoxyphenyl)tet
  • 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