当前位置: 首页 » 资料 » 化学物质数据库 » SBB015272,ZINC00434327, (E)-2-cyano-N-(4-ethoxyphenyl)-3-(4-hydroxyphe

SBB015272,ZINC00434327, (E)-2-cyano-N-(4-ethoxyphenyl)-3-(4-hydroxyphe

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:6
摘 要:SBB015272,ZINC00434327, (E)-2-cyano-N-(4-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide,Canonical SMILES: CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)O)C#N,Isomeric SMILES: CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)O)/C#N,InChI: InChI=1/C18H16N2O3/c1-2-23
[Synonyms]
SBB015272
ZINC00434327

[Structure]
SBB015272,ZINC00434327, (E)-2-cyano-N-(4-ethoxyphenyl)-3-(4-hydroxyphe

[ Properties Computed from Structure]
Molecular Weight308.33124 [g/mol]
Molecular FormulaC18H16N2O3
XLogP3.8
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count4
Exact Mass308.116092
MonoIsotopic Mass308.116092
Topological Polar Surface Area82.4
Heavy Atom Count23
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (E)-2-cyano-N-(4-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
Canonical SMILES: CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)O)C#N
Isomeric SMILES: CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)O)/C#N
InChI: InChI=1/C18H16N2O3/c1-2-23-17-9-5-15(6-10-17)20-18(22)14(12-19)11-13-3-
7-16(21)8-4-13/h3-11,21H,2H2,1H3,(H,20,22)/b14-11+/f/h20H

 
本文导航:
  • (1) SBB015272,ZINC00434327, (E)-2-cyano-N-(4-ethoxyphenyl)-3-(4-hydroxyphe
  • 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