当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_040578,ASN 04369154, 3-[[(1-cyclohexyltetrazol-5-yl)methyl-[2-(

Oprea1_040578,ASN 04369154, 3-[[(1-cyclohexyltetrazol-5-yl)methyl-[2-(

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:3
摘 要:Oprea1_040578,ASN 04369154, 3-[[(1-cyclohexyltetrazol-5-yl)methyl-[2-(3,,4-dimethoxyphenyl)ethyl]amino]methyl]-6-ethyl-1H-quinolin-2-one,Canonical SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC(=C(C=C3)OC)OC)CC4=NN=NN4C5CCCCC5,InChI: InChI=1/C30H38N6
[Synonyms]
Oprea1_040578
ASN 04369154

[Structure]
Oprea1_040578,ASN 04369154, 3-[[(1-cyclohexyltetrazol-5-yl)methyl-[2-(

[ Properties Computed from Structure]
Molecular Weight530.66112 [g/mol]
Molecular FormulaC30H38N6O3
XLogP3.8
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count11
Tautomer Count2
Exact Mass530.300539
MonoIsotopic Mass530.300539
Topological Polar Surface Area94.4
Heavy Atom Count39
Formal Charge0
Complexity821
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: 3-[[(1-cyclohexyltetrazol-5-yl)methyl-[2-(3,
4-dimethoxyphenyl)ethyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
Canonical SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC(=C(C=C3)OC)OC)CC4=NN=NN4C5CCCCC5
InChI: InChI=1/C30H38N6O3/c1-4-21-10-12-26-23(16-21)18-24(30(37)31-26)19-35(15-
14-22-11-13-27(38-2)28(17-22)39-3)20-29-32-33-34-36(29)25-8-6-5-7-9-25/
h10-13,16-18,25H,4-9,14-15,19-20H2,1-3H3,(H,31,37)/f/h31H

 
本文导航:
  • (1) Oprea1_040578,ASN 04369154, 3-[[(1-cyclohexyltetrazol-5-yl)methyl-[2-(
  • 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