当前位置: 首页 » 资料 » 化学物质数据库 » ASN 04454808,,, :Molecular Weight418.51138 [g/mol]Molecular FormulaC

ASN 04454808,,, :Molecular Weight418.51138 [g/mol]Molecular FormulaC

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:2
摘 要:ASN 04454808,,, :Molecular Weight418.51138 [g/mol]Molecular FormulaC23H22N4O2SXLogP5.1H-Bond Donor1H-Bond Acceptor5Rotatable Bond Count4Tautomer Count2Exact Mass418.146347MonoIsotopic Mass418.146347Topological Polar Surface Area75Heavy Atom Count30
[Synonyms]
ASN 04454808


Properties Computed from Structure:Molecular Weight418.51138 [g/mol]Molecular FormulaC23H22N4O2SXLogP5.1H-Bond Donor1H-Bond Acceptor5Rotatable Bond Count4Tautomer Count2Exact Mass418.146347MonoIsotopic Mass418.146347Topological Polar Surface Area75Heavy Atom Count30Formal Charge0Complexity636Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count1Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,
4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
Canonical SMILES: CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(O3)C4=CC5=C(C=C4)NC(=C5C)C
InChI: InChI=1/C23H22N4O2S/c1-13-10-16-6-4-5-7-20(16)27(13)21(28)12-30-23-26-
25-22(29-23)17-8-9-19-18(11-17)14(2)15(3)24-19/h4-9,11,13,24H,10,12H2,
1-3H3


Compound Info:CID: 3189397  Create Date: 2005-08-10
Related Compounds:
Same, Connectivity: 3 Links

Similar Compounds: 71 Links


Substance Info:Substances: 4 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 9048983 - External ID: 3189397

Substance Vendors: 2 Links
   ASINEX ( 1 )
SID: 4167432 - External ID: ASN 04454808
   ChemSpider ( 1 )
SID: 34530179 - External ID: 2440548

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 7429769 - External ID: 3890148

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID3189397Molecular Weight418.51138 [g/mol]Molecular FormulaC23H22N4O2SXLogP5.1H-Bond Donor1H-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]
ASN 04454808,,,   :Molecular Weight418.51138 [g/mol]Molecular FormulaC

[ Properties Computed from Structure]
Molecular Weight418.51138 [g/mol]
Molecular FormulaC23H22N4O2S
XLogP5.1
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count4
Tautomer Count2
Exact Mass418.146347
MonoIsotopic Mass418.146347
Topological Polar Surface Area75
Heavy Atom Count30
Formal Charge0
Complexity636
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: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,
4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
Canonical SMILES: CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(O3)C4=CC5=C(C=C4)NC(=C5C)C
InChI: InChI=1/C23H22N4O2S/c1-13-10-16-6-4-5-7-20(16)27(13)21(28)12-30-23-26-
25-22(29-23)17-8-9-19-18(11-17)14(2)15(3)24-19/h4-9,11,13,24H,10,12H2,
1-3H3

 
本文导航:
  • (1) ASN 04454808,,, :Molecular Weight418.51138 [g/mol]Molecular FormulaC
  • 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