当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_100029,Oprea1_586951,ZINC00880255,BAS 02811619, 2-[(4-chloro-2-

Oprea1_100029,Oprea1_586951,ZINC00880255,BAS 02811619, 2-[(4-chloro-2-

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:3
摘 要:Oprea1_100029,Oprea1_586951,ZINC00880255,BAS 02811619, 2-[(4-chloro-2-methylphenyl)-phenylsulfonylamino]-N-(2-fluorophenyl),acetamide,Canonical SMILES: CC1=C(C=CC(=C1)Cl)N(CC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3,InChI: InChI=1/C21H18ClFN2O3S/c1-15-1
[Synonyms]
Oprea1_100029
Oprea1_586951
ZINC00880255
BAS 02811619

[Structure]
Oprea1_100029,Oprea1_586951,ZINC00880255,BAS 02811619, 2-[(4-chloro-2-

[ Properties Computed from Structure]
Molecular Weight432.895623 [g/mol]
Molecular FormulaC21H18ClFN2O3S
XLogP5
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count2
Exact Mass432.071069
MonoIsotopic Mass432.071069
Topological Polar Surface Area66.5
Heavy Atom Count29
Formal Charge0
Complexity651
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: 2-[(4-chloro-2-methylphenyl)-phenylsulfonylamino]-N-(2-fluorophenyl)
acetamide
Canonical SMILES: CC1=C(C=CC(=C1)Cl)N(CC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1/C21H18ClFN2O3S/c1-15-13-16(22)11-12-20(15)25(29(27,
28)17-7-3-2-4-8-17)14-21(26)24-19-10-6-5-9-18(19)23/h2-13H,14H2,1H3,(H,
24,26)/f/h24H

 
本文导航:
  • (1) Oprea1_100029,Oprea1_586951,ZINC00880255,BAS 02811619, 2-[(4-chloro-2-
  • 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