當前位置: 首頁 » 資料 » 化學物質數據庫 » STOCK3S-23263,,, :Molecular Weight444.63148 [g/mol]Molecular Formula

STOCK3S-23263,,, :Molecular Weight444.63148 [g/mol]Molecular Formula

放大字體  縮小字體 更新日期:2018-11-22  瀏覽次數:0
摘 要:STOCK3S-23263,,, :Molecular Weight444.63148 [g/mol]Molecular FormulaC28H32N2OSXLogP7.2H-Bond Donor0H-Bond Acceptor2Rotatable Bond Count5Exact Mass444.223534MonoIsotopic Mass444.223534Topological Polar Surface Area32.7Heavy Atom Count32Formal Charge
[Synonyms]
STOCK3S-23263


Properties Computed from Structure:Molecular Weight444.63148 [g/mol]Molecular FormulaC28H32N2OSXLogP7.2H-Bond Donor0H-Bond Acceptor2Rotatable Bond Count5Exact Mass444.223534MonoIsotopic Mass444.223534Topological Polar Surface Area32.7Heavy Atom Count32Formal Charge0Complexity757Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-3-propylspiro[6H-benzo[h]quinazoline-
5,1'-cyclohexane]-4-one
Canonical SMILES: CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=C(C=C5)C
InChI: InChI=1/C28H32N2OS/c1-3-17-30-26(31)24-25(29-27(30)32-19-21-13-11-20(2)
12-14-21)23-10-6-5-9-22(23)18-28(24)15-7-4-8-16-28/h5-6,9-14H,3-4,7-8,
15-19H2,1-2H3


Compound Info:CID: 1964720  Create Date: 2005-07-13

Similar Compounds: 531 Links


Substance Info:Substances: 4 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 9880424 - External ID: 1964720

Substance Vendors: 2 Links
   Ambinter ( 1 )
SID: 28333686 - External ID: STOCK3S-23263
   ChemSpider ( 1 )
SID: 35873476 - External ID: 1498776

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 4451444 - External ID: 4825790

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID1964720Molecular Weight444.63148 [g/mol]Molecular FormulaC28H32N2OSXLogP7.2H-Bond Donor0H-Bond Acceptor2  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]
STOCK3S-23263,,,   :Molecular Weight444.63148 [g/mol]Molecular Formula

[ Properties Computed from Structure]
Molecular Weight444.63148 [g/mol]
Molecular FormulaC28H32N2OS
XLogP7.2
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count5
Exact Mass444.223534
MonoIsotopic Mass444.223534
Topological Polar Surface Area32.7
Heavy Atom Count32
Formal Charge0
Complexity757
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: 2-[(4-methylphenyl)methylsulfanyl]-3-propylspiro[6H-benzo[h]quinazoline-
5,1'-cyclohexane]-4-one
Canonical SMILES: CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=C(C=C5)C
InChI: InChI=1/C28H32N2OS/c1-3-17-30-26(31)24-25(29-27(30)32-19-21-13-11-20(2)
12-14-21)23-10-6-5-9-22(23)18-28(24)15-7-4-8-16-28/h5-6,9-14H,3-4,7-8,
15-19H2,1-2H3

 
本文導航:
  • (1) STOCK3S-23263,,, :Molecular Weight444.63148 [g/mol]Molecular Formula
  • 下一篇:鱉甲
  • 上一篇:暫無
 
[ 資料搜索 ]  [ 加入收藏 ]  [ 告訴好友 ]  [ 打印本文 ]  [ 關閉窗口 ]

 

 
推薦圖文
推薦資料
熱門關注
 
 
(*^▽^*)MG酷犬酒店在线客服 双色球和值走势图表 内蒙古11选5规则 狗狗币原始发行价多少 棋牌游戏招商加盟好做吗 越南河内5分彩计划 2020网上怎么买正规彩票 河北体彩221期排列3 一分赛车游戏 海南飞鱼申请 五分赛车开奖走势图 股票软件下载 下载送20元现金棋牌 星悦浙江麻将有没有外挂 新濠天地官方网站-点击进入 中国竟彩计算胜平负 北京赛车系统