当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_175345,Oprea1_721419,ZINC00879714,BAS 00253789, N-[4-(acetyl-ph

Oprea1_175345,Oprea1_721419,ZINC00879714,BAS 00253789, N-[4-(acetyl-ph

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:2
摘 要:Oprea1_175345,Oprea1_721419,ZINC00879714,BAS 00253789, N-[4-(acetyl-phenylsulfonylamino)-2-chlorophenyl]-N-,phenylsulfonylacetamide,Canonical SMILES: CC(=O)N(C1=CC(=C(C=C1)N(C(=O)C)S(=O)(=O)C2=CC=CC=C2)Cl)S(=O)(=O)C3=CC=,CC=C3,InChI: InChI=1/C22H19Cl
[Synonyms]
Oprea1_175345
Oprea1_721419
ZINC00879714
BAS 00253789

[Structure]
Oprea1_175345,Oprea1_721419,ZINC00879714,BAS 00253789, N-[4-(acetyl-ph

[ Properties Computed from Structure]
Molecular Weight506.97906 [g/mol]
Molecular FormulaC22H19ClN2O6S2
XLogP3.5
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count6
Exact Mass506.037305
MonoIsotopic Mass506.037305
Topological Polar Surface Area109
Heavy Atom Count33
Formal Charge0
Complexity916
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: N-[4-(acetyl-phenylsulfonylamino)-2-chlorophenyl]-N-
phenylsulfonylacetamide
Canonical SMILES: CC(=O)N(C1=CC(=C(C=C1)N(C(=O)C)S(=O)(=O)C2=CC=CC=C2)Cl)S(=O)(=O)C3=CC=
CC=C3
InChI: InChI=1/C22H19ClN2O6S2/c1-16(26)24(32(28,
29)19-9-5-3-6-10-19)18-13-14-22(21(23)15-18)25(17(2)27)33(30,
31)20-11-7-4-8-12-20/h3-15H,1-2H3

 
本文导航:
  • (1) Oprea1_175345,Oprea1_721419,ZINC00879714,BAS 00253789, N-[4-(acetyl-ph
  • 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