当前位置: 首页 » 资料 » 化学物质数据库 » T0520-5786,,, :Molecular Weight462.40316 [g/mol]Molecular FormulaC21

T0520-5786,,, :Molecular Weight462.40316 [g/mol]Molecular FormulaC21

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:11
摘 要:T0520-5786,,, :Molecular Weight462.40316 [g/mol]Molecular FormulaC21H24BrN3O2SXLogP7.5H-Bond Donor0H-Bond Acceptor5Rotatable Bond Count9Exact Mass461.07726MonoIsotopic Mass461.07726Topological Polar Surface Area49.2Heavy Atom Count28Formal Charge0C
[Synonyms]
T0520-5786


Properties Computed from Structure:Molecular Weight462.40316 [g/mol]Molecular FormulaC21H24BrN3O2SXLogP7.5H-Bond Donor0H-Bond Acceptor5Rotatable Bond Count9Exact Mass461.07726MonoIsotopic Mass461.07726Topological Polar Surface Area49.2Heavy Atom Count28Formal Charge0Complexity451Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-(2-
methylpropyl)-1,2,4-triazole
Canonical SMILES: CC(C)CN1C(=NN=C1SCCOC2=CC(=CC=C2)Br)C3=CC=C(C=C3)OC
InChI: InChI=1/C21H24BrN3O2S/c1-15(2)14-25-20(16-7-9-18(26-3)10-8-16)23-24-21
(25)28-12-11-27-19-6-4-5-17(22)13-19/h4-10,13,15H,11-12,14H2,1-3H3


Compound Info:CID: 2409119  Create Date: 2005-07-15

Similar Compounds: 209 Links


Substance Info:Substances: 4 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 9342887 - External ID: 2409119

Substance Vendors: 2 Links
   Ambinter ( 1 )
SID: 25211214 - External ID: T0520-5786
   ChemSpider ( 1 )
SID: 30609455 - External ID: 1798910

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 6352715 - External ID: 5459934

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2409119Molecular Weight462.40316 [g/mol]Molecular FormulaC21H24BrN3O2SXLogP7.5H-Bond Donor0H-Bond Acceptor5  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]
T0520-5786,,,   :Molecular Weight462.40316 [g/mol]Molecular FormulaC21

[ Properties Computed from Structure]
Molecular Weight462.40316 [g/mol]
Molecular FormulaC21H24BrN3O2S
XLogP7.5
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count9
Exact Mass461.07726
MonoIsotopic Mass461.07726
Topological Polar Surface Area49.2
Heavy Atom Count28
Formal Charge0
Complexity451
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-[2-(3-bromophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-(2-
methylpropyl)-1,2,4-triazole
Canonical SMILES: CC(C)CN1C(=NN=C1SCCOC2=CC(=CC=C2)Br)C3=CC=C(C=C3)OC
InChI: InChI=1/C21H24BrN3O2S/c1-15(2)14-25-20(16-7-9-18(26-3)10-8-16)23-24-21
(25)28-12-11-27-19-6-4-5-17(22)13-19/h4-10,13,15H,11-12,14H2,1-3H3

 
本文导航:
  • (1) T0520-5786,,, :Molecular Weight462.40316 [g/mol]Molecular FormulaC21
  • 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