2分快3

 
 
以后职位: 2分快3 » 质料 » 化学物质数据库 » ASN 04187902,,, :Molecular Weight542.63206 [g/mol]Molecular FormulaC

ASN 04187902,,, :Molecular Weight542.63206 [g/mol]Molecular FormulaC

镌汰字体  镌汰字体 更新日期:2018-11-23  浏览次数:0
摘 要:ASN 04187902,,, :Molecular Weight542.63206 [g/mol]Molecular FormulaC29H34N8O3XLogP3.7H-Bond Donor1H-Bond Acceptor9Rotatable Bond Count5Tautomer Count2Exact Mass542.275387MonoIsotopic Mass542.275387Topological Polar Surface Area122Heavy Atom Count40
[Synonyms]
ASN 04187902


Properties Computed from Structure:Molecular Weight542.63206 [g/mol]Molecular FormulaC29H34N8O3XLogP3.7H-Bond Donor1H-Bond Acceptor9Rotatable Bond Count5Tautomer Count2Exact Mass542.275387MonoIsotopic Mass542.275387Topological Polar Surface Area122Heavy Atom Count40Formal Charge0Complexity936Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count1Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 3-[(1-cyclohexyltetrazol-5-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methyl]-
6,8-dimethyl-1H-quinolin-2-one
Canonical SMILES: CC1=CC(=C2C(=C1)C=C(C(=O)N2)C(C3=NN=NN3C4CCCCC4)N5CCN(CC5)C6=CC=C(C=C6)
[N+](=O)[O-])C
InChI: InChI=1/C29H34N8O3/c1-19-16-20(2)26-21(17-19)18-25(29(38)30-26)27(28-31-
32-33-36(28)23-6-4-3-5-7-23)35-14-12-34(13-15-35)22-8-10-24(11-9-22)37
(39)40/h8-11,16-18,23,27H,3-7,12-15H2,1-2H3,(H,30,38)/f/h30H


Compound Info:CID: 3182897  Create Date: 2005-08-10

Similar Compounds: 148 Links


Substance Info:Substances: 4 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 9042562 - External ID: 3182897

Substance Vendors: 2 Links
   ASINEX ( 1 )
SID: 4155393 - External ID: ASN 04187902
   ChemSpider ( 1 )
SID: 34523698 - External ID: 2434067

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 5113309 - External ID: 3877041

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID3182897Molecular Weight542.63206 [g/mol]Molecular FormulaC29H34N8O3XLogP3.7H-Bond Donor1H-Bond Acceptor9  Links
Chemical Structure Search

 Write to Helpdesk | Disclaimer | Privacy statement | Accessibility var gaJsHost = (("https:" == document.location.protocol) ? "http://www." : "http://www."); document.write(unescape("%3Cscript src='" + gaJsHost + "ncbi.nlm.nih.gov/Structure/ga.js' type='text/javascript'%3E%3C/script%3E"));var pageTracker = _gat._getTracker("UA-4307947-1"); pageTracker._initData(); pageTracker._trackPageview();
[Structure]
ASN 04187902,,,   :Molecular Weight542.63206 [g/mol]Molecular FormulaC

[ Properties Computed from Structure]
Molecular Weight542.63206 [g/mol]
Molecular FormulaC29H34N8O3
XLogP3.7
H-Bond Donor1
H-Bond Acceptor9
Rotatable Bond Count5
Tautomer Count2
Exact Mass542.275387
MonoIsotopic Mass542.275387
Topological Polar Surface Area122
Heavy Atom Count40
Formal Charge0
Complexity936
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-[(1-cyclohexyltetrazol-5-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methyl]-
6,8-dimethyl-1H-quinolin-2-one
Canonical SMILES: CC1=CC(=C2C(=C1)C=C(C(=O)N2)C(C3=NN=NN3C4CCCCC4)N5CCN(CC5)C6=CC=C(C=C6)
[N+](=O)[O-])C
InChI: InChI=1/C29H34N8O3/c1-19-16-20(2)26-21(17-19)18-25(29(38)30-26)27(28-31-
32-33-36(28)23-6-4-3-5-7-23)35-14-12-34(13-15-35)22-8-10-24(11-9-22)37
(39)40/h8-11,16-18,23,27H,3-7,12-15H2,1-2H3,(H,30,38)/f/h30H

 
本文导航:
  • (1) ASN 04187902,,, :Molecular Weight542.63206 [g/mol]Molecular FormulaC
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 质料搜索 ]  [ 加入珍藏 ]  [ 告诉石友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐质料
热门关注