当前位置: 首页 » 资料 » 化学物质数据库 » ZINC03542200 [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl],5,7-di

ZINC03542200 [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl],5,7-di

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:0
摘 要:ZINC03542200 [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl],5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate,Canonical SMILES: CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C,InChI: InChI=1/C20H23N5O5/c1-12-9-13(2)25-20(22-12
[Synonyms]
ZINC03542200
[Structure]
ZINC03542200 [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl],5,7-di

[ Properties Computed from Structure]
Molecular Weight413.42712 [g/mol]
Molecular FormulaC20H23N5O5
XLogP-0.1
H-Bond Donor1
H-Bond Acceptor9
Rotatable Bond Count9
Tautomer Count2
Exact Mass413.169919
MonoIsotopic Mass413.169919
Topological Polar Surface Area117
Heavy Atom Count30
Formal Charge0
Complexity594
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-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Canonical SMILES: CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C
InChI: InChI=1/C20H23N5O5/c1-12-9-13(2)25-20(22-12)23-18(24-25)19(27)30-11-17
(26)21-8-7-14-5-6-15(28-3)16(10-14)29-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,
26)/f/h21H

 
本文导航:
  • (1) ZINC03542200 [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl],5,7-di
  • 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