当前位置: 首页 » 资料 » 化学物质数据库 » 4-methyl-N-[3-(phenylmethoxy)pyridin-2-yl]benzamide,Canonical SMILES:

4-methyl-N-[3-(phenylmethoxy)pyridin-2-yl]benzamide,Canonical SMILES:

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:0
摘 要: 4-methyl-N-[3-(phenylmethoxy)pyridin-2-yl]benzamide,Canonical SMILES: CC1=CC=C(C=C1)C(=O)NC2=C(C=CC=N2)OCC3=CC=CC=C3,InChI: InChI=1/C20H18N2O2/c1-15-9-11-17(12-10-15)20(23)22-19-18(8-5-13-21-19),24-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,21,22,23)/f/h
[Synonyms]

[Structure]
 4-methyl-N-[3-(phenylmethoxy)pyridin-2-yl]benzamide,Canonical SMILES:

[ Properties Computed from Structure]
Molecular Weight318.36912 [g/mol]
Molecular FormulaC20H18N2O2
XLogP4.5
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count3
Exact Mass318.136828
MonoIsotopic Mass318.136828
Topological Polar Surface Area51.2
Heavy Atom Count24
Formal Charge0
Complexity387
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: 4-methyl-N-[3-(phenylmethoxy)pyridin-2-yl]benzamide
Canonical SMILES: CC1=CC=C(C=C1)C(=O)NC2=C(C=CC=N2)OCC3=CC=CC=C3
InChI: InChI=1/C20H18N2O2/c1-15-9-11-17(12-10-15)20(23)22-19-18(8-5-13-21-19)
24-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,21,22,23)/f/h22H

 
本文导航:
  • (1) 4-methyl-N-[3-(phenylmethoxy)pyridin-2-yl]benzamide,Canonical SMILES:
  • 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