当前位置: 首页 » 资料 » 化学物质数据库 » [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxoethyl],(Z)-3-(3-bromo-4,5-

[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxoethyl],(Z)-3-(3-bromo-4,5-

放大字体  缩小字体 更新日期:2018-11-22  浏览次数:3
摘 要: [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxoethyl],(Z)-3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoate,Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C=CC2=CC(=C(C(=C2)Br)OC)OC,Isomeric SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)\C=C/C2=CC(=
[Synonyms]

[Structure]
 [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxoethyl],(Z)-3-(3-bromo-4,5-

[ Properties Computed from Structure]
Molecular Weight504.4134 [g/mol]
Molecular FormulaC25H30BrNO5
XLogP5.7
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count10
Tautomer Count2
Exact Mass503.130736
MonoIsotopic Mass503.130736
Topological Polar Surface Area73.9
Heavy Atom Count32
Formal Charge0
Complexity622
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: [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxoethyl]
(Z)-3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoate
Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C=CC2=CC(=C(C(=C2)Br)OC)OC
Isomeric SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)\C=C/C2=CC(=C(C(=C2)Br)OC)OC
InChI: InChI=1/C25H30BrNO5/c1-15(2)18-8-7-9-19(16(3)4)24(18)27-22(28)14-32-23
(29)11-10-17-12-20(26)25(31-6)21(13-17)30-5/h7-13,15-16H,14H2,1-6H3,(H,
27,28)/b11-10-/f/h27H

 
本文导航:
  • (1) [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxoethyl],(Z)-3-(3-bromo-4,5-
  • 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