当前位置: 首页 » 资料 » 化学物质数据库 » 3-[[2-(3,,4-dimethoxyphenyl)ethyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetra

3-[[2-(3,,4-dimethoxyphenyl)ethyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetra

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:5
摘 要: 3-[[2-(3,,4-dimethoxyphenyl)ethyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl],methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one,Canonical SMILES: CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCC3=CC(=C(C=C3)OC)OC)CC4=NN=NN4CC5CCCO5),C,Isomeric SMILES: CC1=C(C2
[Synonyms]

[Structure]
 3-[[2-(3,,4-dimethoxyphenyl)ethyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetra

[ Properties Computed from Structure]
Molecular Weight532.63394 [g/mol]
Molecular FormulaC29H36N6O4
XLogP2.1
H-Bond Donor1
H-Bond Acceptor9
Rotatable Bond Count11
Tautomer Count2
Exact Mass532.279804
MonoIsotopic Mass532.279804
Topological Polar Surface Area104
Heavy Atom Count39
Formal Charge0
Complexity845
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-[[2-(3,
4-dimethoxyphenyl)ethyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]
methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
Canonical SMILES: CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCC3=CC(=C(C=C3)OC)OC)CC4=NN=NN4CC5CCCO5)
C
Isomeric SMILES: CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCC3=CC(=C(C=C3)OC)OC)CC4=NN=NN4C[C@H]
5CCCO5)C
InChI: InChI=1/C29H36N6O4/c1-19-7-9-22-15-23(29(36)30-28(22)20(19)2)16-34(12-
11-21-8-10-25(37-3)26(14-21)38-4)18-27-31-32-33-35(27)17-24-6-5-13-39-
24/h7-10,14-15,24H,5-6,11-13,16-18H2,1-4H3,(H,30,36)/t24-/m1/s1/f/h30H

 
本文导航:
  • (1) 3-[[2-(3,,4-dimethoxyphenyl)ethyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetra
  • 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