当前位置: 首页 » 资料 » 化学物质数据库 » 8-methyl-3-[[3-morpholin-4-ylpropyl-[[1-[[(2S)-oxolan-2-yl]methyl],te

8-methyl-3-[[3-morpholin-4-ylpropyl-[[1-[[(2S)-oxolan-2-yl]methyl],te

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要: 8-methyl-3-[[3-morpholin-4-ylpropyl-[[1-[[(2S)-oxolan-2-yl]methyl],tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one,Canonical SMILES: CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCN3CCOCC3)CC4=NN=NN4CC5CCCO5,Isomeric SMILES: CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCN3CC
[Synonyms]

[Structure]
 8-methyl-3-[[3-morpholin-4-ylpropyl-[[1-[[(2S)-oxolan-2-yl]methyl],te

[ Properties Computed from Structure]
Molecular Weight481.5905 [g/mol]
Molecular FormulaC25H35N7O3
XLogP0
H-Bond Donor1
H-Bond Acceptor9
Rotatable Bond Count10
Tautomer Count2
Exact Mass481.280138
MonoIsotopic Mass481.280138
Topological Polar Surface Area97.6
Heavy Atom Count35
Formal Charge0
Complexity732
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: 8-methyl-3-[[3-morpholin-4-ylpropyl-[[1-[[(2S)-oxolan-2-yl]methyl]
tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
Canonical SMILES: CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCN3CCOCC3)CC4=NN=NN4CC5CCCO5
Isomeric SMILES: CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCCN3CCOCC3)CC4=NN=NN4C[C@@H]5CCCO5
InChI: InChI=1/C25H35N7O3/c1-19-5-2-6-20-15-21(25(33)26-24(19)20)16-31(9-4-8-
30-10-13-34-14-11-30)18-23-27-28-29-32(23)17-22-7-3-12-35-22/h2,5-6,15,
22H,3-4,7-14,16-18H2,1H3,(H,26,33)/t22-/m0/s1/f/h26H

 
本文导航:
  • (1) 8-methyl-3-[[3-morpholin-4-ylpropyl-[[1-[[(2S)-oxolan-2-yl]methyl],te
  • 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