当前位置: 首页 » 资料 » 化学物质数据库 » methyl 4-[5-[4,5-di(phenyl)-3H-imidazol-1-ium-2-yl]furan-2-yl]benzoat

methyl 4-[5-[4,5-di(phenyl)-3H-imidazol-1-ium-2-yl]furan-2-yl]benzoat

放大字体  缩小字体 更新日期:2016-02-10  浏览次数:0
摘 要: methyl 4-[5-[4,5-di(phenyl)-3H-imidazol-1-ium-2-yl]furan-2-yl]benzoate,Canonical SMILES: COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3=[NH+]C(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5,InChI: InChI=1/C27H20N2O3/c1-31-27(30)21-14-12-18(13-15-21)22-16-17-23(32-22),26-28-24(19
[Synonyms]

[Structure]
 methyl 4-[5-[4,5-di(phenyl)-3H-imidazol-1-ium-2-yl]furan-2-yl]benzoat

[ Properties Computed from Structure]
Molecular Weight421.46724 [g/mol]
Molecular FormulaC27H21N2O3+
XLogP8.846
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count4
Exact Mass421.155218
MonoIsotopic Mass421.155218
Topological Polar Surface Area69.4
Heavy Atom Count32
Formal Charge1
Complexity582
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: methyl 4-[5-[4,5-di(phenyl)-3H-imidazol-1-ium-2-yl]furan-2-yl]benzoate
Canonical SMILES: COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3=[NH+]C(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1/C27H20N2O3/c1-31-27(30)21-14-12-18(13-15-21)22-16-17-23(32-22)
26-28-24(19-8-4-2-5-9-19)25(29-26)20-10-6-3-7-11-20/h2-17H,1H3,(H,28,
29)/p+1/fC27H21N2O3/h28-29H/q+1

 
本文导航:
  • (1) methyl 4-[5-[4,5-di(phenyl)-3H-imidazol-1-ium-2-yl]furan-2-yl]benzoat
  • 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