当前位置: 首页 » 资料 » 化学物质数据库 » 4-[[4-chloro-1-(5-chloro-2-methoxyphenyl)-2,,5-dioxopyrrol-3-yl]amino

4-[[4-chloro-1-(5-chloro-2-methoxyphenyl)-2,,5-dioxopyrrol-3-yl]amino

放大字体  缩小字体 更新日期:2018-11-27  浏览次数:3
摘 要: 4-[[4-chloro-1-(5-chloro-2-methoxyphenyl)-2,,5-dioxopyrrol-3-yl]amino]-N-(3-methoxyphenyl)benzamide,Canonical SMILES: COC1=C(C=C(C=C1)Cl)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4),OC,InChI: InChI=1/C25H19Cl2N3O5/c1-34-18-5-3-4-17(13-18)29
[Synonyms]

[Structure]
 4-[[4-chloro-1-(5-chloro-2-methoxyphenyl)-2,,5-dioxopyrrol-3-yl]amino

[ Properties Computed from Structure]
Molecular Weight512.34146 [g/mol]
Molecular FormulaC25H19Cl2N3O5
XLogP5
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count7
Tautomer Count9
Exact Mass511.070176
MonoIsotopic Mass511.070176
Topological Polar Surface Area97
Heavy Atom Count35
Formal Charge0
Complexity845
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-[[4-chloro-1-(5-chloro-2-methoxyphenyl)-2,
5-dioxopyrrol-3-yl]amino]-N-(3-methoxyphenyl)benzamide
Canonical SMILES: COC1=C(C=C(C=C1)Cl)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)
OC
InChI: InChI=1/C25H19Cl2N3O5/c1-34-18-5-3-4-17(13-18)29-23(31)14-6-9-16(10-7-
14)28-22-21(27)24(32)30(25(22)33)19-12-15(26)8-11-20(19)35-2/h3-13,28H,
1-2H3,(H,29,31)/f/h29H

 
本文导航:
  • (1) 4-[[4-chloro-1-(5-chloro-2-methoxyphenyl)-2,,5-dioxopyrrol-3-yl]amino
  • 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