当前位置: 首页 » 资料 » 化学物质数据库 » ST5418790,,, :Molecular Weight522.57768 [g/mol]Molecular FormulaC28H

ST5418790,,, :Molecular Weight522.57768 [g/mol]Molecular FormulaC28H

放大字体  缩小字体 更新日期:2018-11-22  浏览次数:8
摘 要:ST5418790,,, :Molecular Weight522.57768 [g/mol]Molecular FormulaC28H22N6O3SXLogP5.9H-Bond Donor1H-Bond Acceptor8Rotatable Bond Count7Tautomer Count2Exact Mass522.147409MonoIsotopic Mass522.147409Topological Polar Surface Area108Heavy Atom Count38Fo
[Synonyms]
ST5418790


Properties Computed from Structure:Molecular Weight522.57768 [g/mol]Molecular FormulaC28H22N6O3SXLogP5.9H-Bond Donor1H-Bond Acceptor8Rotatable Bond Count7Tautomer Count2Exact Mass522.147409MonoIsotopic Mass522.147409Topological Polar Surface Area108Heavy Atom Count38Formal Charge0Complexity801Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: N-(2-methoxydibenzofuran-3-yl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,
2,4-triazol-3-yl]sulfanyl]acetamide
Canonical SMILES: CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC)C6=NC=CN=
C6
InChI: InChI=1/C28H22N6O3S/c1-17-7-9-18(10-8-17)34-27(22-15-29-11-12-30-22)32-
33-28(34)38-16-26(35)31-21-14-24-20(13-25(21)36-2)19-5-3-4-6-23(19)37-
24/h3-15H,16H2,1-2H3,(H,31,35)/f/h31H


Compound Info:CID: 2034845  Create Date: 2005-07-14

Similar Compounds: 64 Links


Substance Info:Substances: 4 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 9897516 - External ID: 2034845

Substance Vendors: 2 Links
   Ambinter ( 1 )
SID: 48576031 - External ID: ST5418790
   ChemSpider ( 1 )
SID: 33398327 - External ID: 1535048

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 7129002 - External ID: 7381014

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2034845Molecular Weight522.57768 [g/mol]Molecular FormulaC28H22N6O3SXLogP5.9H-Bond Donor1H-Bond Acceptor8  Links
Chemical Structure Search

 Write to Helpdesk | Disclaimer | Privacy statement | Accessibility var gaJsHost = (("https:" == document.location.protocol) ? "https://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]
ST5418790,,,   :Molecular Weight522.57768 [g/mol]Molecular FormulaC28H

[ Properties Computed from Structure]
Molecular Weight522.57768 [g/mol]
Molecular FormulaC28H22N6O3S
XLogP5.9
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count7
Tautomer Count2
Exact Mass522.147409
MonoIsotopic Mass522.147409
Topological Polar Surface Area108
Heavy Atom Count38
Formal Charge0
Complexity801
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: N-(2-methoxydibenzofuran-3-yl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,
2,4-triazol-3-yl]sulfanyl]acetamide
Canonical SMILES: CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC)C6=NC=CN=
C6
InChI: InChI=1/C28H22N6O3S/c1-17-7-9-18(10-8-17)34-27(22-15-29-11-12-30-22)32-
33-28(34)38-16-26(35)31-21-14-24-20(13-25(21)36-2)19-5-3-4-6-23(19)37-
24/h3-15H,16H2,1-2H3,(H,31,35)/f/h31H

 
本文导航:
  • (1) ST5418790,,, :Molecular Weight522.57768 [g/mol]Molecular FormulaC28H
  • 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