当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_315500,ASN 04370284, ethyl,2-[5-[[(6-methoxy-2-oxo-1H-quinolin-

Oprea1_315500,ASN 04370284, ethyl,2-[5-[[(6-methoxy-2-oxo-1H-quinolin-

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:3
摘 要:Oprea1_315500,ASN 04370284, ethyl,2-[5-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl),methyl]amino]methyl]tetrazol-1-yl]acetate,Canonical SMILES: CCOC(=O)CN1C(=NN=N1)CN(CC2=CC=C(C=C2)OC)CC3=CC4=C(C=CC(=C4)OC)NC3=O,InChI: InChI=1/C25H28
[Synonyms]
Oprea1_315500
ASN 04370284

[Structure]
Oprea1_315500,ASN 04370284, ethyl,2-[5-[[(6-methoxy-2-oxo-1H-quinolin-

[ Properties Computed from Structure]
Molecular Weight492.52702 [g/mol]
Molecular FormulaC25H28N6O5
XLogP1.3
H-Bond Donor1
H-Bond Acceptor10
Rotatable Bond Count12
Tautomer Count2
Exact Mass492.212118
MonoIsotopic Mass492.212118
Topological Polar Surface Area121
Heavy Atom Count36
Formal Charge0
Complexity774
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: ethyl
2-[5-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)
methyl]amino]methyl]tetrazol-1-yl]acetate
Canonical SMILES: CCOC(=O)CN1C(=NN=N1)CN(CC2=CC=C(C=C2)OC)CC3=CC4=C(C=CC(=C4)OC)NC3=O
InChI: InChI=1/C25H28N6O5/c1-4-36-24(32)16-31-23(27-28-29-31)15-30(13-17-5-7-20
(34-2)8-6-17)14-19-11-18-12-21(35-3)9-10-22(18)26-25(19)33/h5-12H,4,
13-16H2,1-3H3,(H,26,33)/f/h26H

 
本文导航:
  • (1) Oprea1_315500,ASN 04370284, ethyl,2-[5-[[(6-methoxy-2-oxo-1H-quinolin-
  • 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