当前位置: 首页 » 资料 » 化学物质数据库 » MLS000408986,ZINC03220542,SMR000263964,T0511-0229, 3-fluoro-N-[2-(3-me

MLS000408986,ZINC03220542,SMR000263964,T0511-0229, 3-fluoro-N-[2-(3-me

放大字体  缩小字体 更新日期:2016-02-10  浏览次数:0
摘 要:MLS000408986,ZINC03220542,SMR000263964,T0511-0229, 3-fluoro-N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzamide,Canonical SMILES: COC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC(=CC=C3)F,InChI: InChI=1/C21H15F4NO3/c1-28-16-6-3-7-17(12-16)2
[Synonyms]
MLS000408986
ZINC03220542
SMR000263964
T0511-0229

[Structure]
MLS000408986,ZINC03220542,SMR000263964,T0511-0229, 3-fluoro-N-[2-(3-me

[ Properties Computed from Structure]
Molecular Weight405.342313 [g/mol]
Molecular FormulaC21H15F4NO3
XLogP5.5
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count5
Tautomer Count2
Exact Mass405.098806
MonoIsotopic Mass405.098806
Topological Polar Surface Area47.6
Heavy Atom Count29
Formal Charge0
Complexity545
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: 3-fluoro-N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzamide
Canonical SMILES: COC1=CC=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC(=CC=C3)F
InChI: InChI=1/C21H15F4NO3/c1-28-16-6-3-7-17(12-16)29-19-9-8-14(21(23,
24)25)11-18(19)26-20(27)13-4-2-5-15(22)10-13/h2-12H,1H3,(H,26,27)/f/h26H

 
本文导航:
  • (1) MLS000408986,ZINC03220542,SMR000263964,T0511-0229, 3-fluoro-N-[2-(3-me
  • 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