当前位置: 首页 » 资料 » 化学物质数据库 » MLS000534314,STK164020,ZINC00977618,SMR000141751,AM-879/40742518,N-[(1

MLS000534314,STK164020,ZINC00977618,SMR000141751,AM-879/40742518,N-[(1

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:5
摘 要:MLS000534314,STK164020,ZINC00977618,SMR000141751,AM-879/40742518,N-[(1,2-dihydro-5-acenaphthylenylamino)carbonothioyl]-2-phenoxyacetamide, N-(acenaphthen-5-ylcarbamothioyl)-2-(phenoxy)acetamide,Canonical SMILES: C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)C
[Synonyms]
MLS000534314
STK164020
ZINC00977618
SMR000141751
AM-879/40742518
N-[(1,2-dihydro-5-acenaphthylenylamino)carbonothioyl]-2-phenoxyacetamide

[Structure]
MLS000534314,STK164020,ZINC00977618,SMR000141751,AM-879/40742518,N-[(1

[ Properties Computed from Structure]
Molecular Weight362.44482 [g/mol]
Molecular FormulaC21H18N2O2S
XLogP4.5
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count5
Exact Mass362.108899
MonoIsotopic Mass362.108899
Topological Polar Surface Area50.4
Heavy Atom Count26
Formal Charge0
Complexity520
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-(acenaphthen-5-ylcarbamothioyl)-2-(phenoxy)acetamide
Canonical SMILES: C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)COC4=CC=CC=C4
InChI: InChI=1/C21H18N2O2S/c24-19(13-25-16-6-2-1-3-7-16)23-21(26)22-18-12-11-
15-10-9-14-5-4-8-17(18)20(14)15/h1-8,11-12H,9-10,13H2,(H2,22,23,24,
26)/f/h22-23H

 
本文导航:
  • (1) MLS000534314,STK164020,ZINC00977618,SMR000141751,AM-879/40742518,N-[(1
  • 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