当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_489755,STK065758,ZINC00434320, 3,4-diethoxy-N-(4-methylphenyl)b

Oprea1_489755,STK065758,ZINC00434320, 3,4-diethoxy-N-(4-methylphenyl)b

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:18
摘 要:Oprea1_489755,STK065758,ZINC00434320, 3,4-diethoxy-N-(4-methylphenyl)benzamide,Canonical SMILES: CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C)OCC,InChI: InChI=1/C18H21NO3/c1-4-21-16-11-8-14(12-17(16)22-5-2)18(20)19-15-9-6-13,(3)7-10-15/h6-12H,4-5H2,1-3H3,(H
[Synonyms]
Oprea1_489755
STK065758
ZINC00434320

[Structure]
Oprea1_489755,STK065758,ZINC00434320, 3,4-diethoxy-N-(4-methylphenyl)b

[ Properties Computed from Structure]
Molecular Weight299.36424 [g/mol]
Molecular FormulaC18H21NO3
XLogP3.8
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count6
Tautomer Count2
Exact Mass299.152144
MonoIsotopic Mass299.152144
Topological Polar Surface Area47.6
Heavy Atom Count22
Formal Charge0
Complexity339
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: 3,4-diethoxy-N-(4-methylphenyl)benzamide
Canonical SMILES: CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C)OCC
InChI: InChI=1/C18H21NO3/c1-4-21-16-11-8-14(12-17(16)22-5-2)18(20)19-15-9-6-13
(3)7-10-15/h6-12H,4-5H2,1-3H3,(H,19,20)/f/h19H

 
本文导航:
  • (1) Oprea1_489755,STK065758,ZINC00434320, 3,4-diethoxy-N-(4-methylphenyl)b
  • 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