当前位置: 首页 » 资料 » 化学物质数据库 » ChemDiv1_021109,ZINC00879750,BAS 00253833,EU-0037398, ethyl,1-(4-chlor

ChemDiv1_021109,ZINC00879750,BAS 00253833,EU-0037398, ethyl,1-(4-chlor

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:1
摘 要:ChemDiv1_021109,ZINC00879750,BAS 00253833,EU-0037398, ethyl,1-(4-chlorophenyl)sulfonyl-5-[(4-chlorophenyl)sulfonylamino]-2-,methylindole-3-carboxylate,Canonical SMILES: CCOC(=O)C1=C(N(C2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=C,(C=C4)Cl)
[Synonyms]
ChemDiv1_021109
ZINC00879750
BAS 00253833
EU-0037398

[Structure]
ChemDiv1_021109,ZINC00879750,BAS 00253833,EU-0037398, ethyl,1-(4-chlor

[ Properties Computed from Structure]
Molecular Weight567.4614 [g/mol]
Molecular FormulaC24H20Cl2N2O6S2
XLogP6
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count8
Exact Mass566.013983
MonoIsotopic Mass566.013983
Topological Polar Surface Area112
Heavy Atom Count36
Formal Charge0
Complexity983
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: ethyl
1-(4-chlorophenyl)sulfonyl-5-[(4-chlorophenyl)sulfonylamino]-2-
methylindole-3-carboxylate
Canonical SMILES: CCOC(=O)C1=C(N(C2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=C
(C=C4)Cl)C
InChI: InChI=1/C24H20Cl2N2O6S2/c1-3-34-24(29)23-15(2)28(36(32,
33)20-11-6-17(26)7-12-20)22-13-8-18(14-21(22)23)27-35(30,
31)19-9-4-16(25)5-10-19/h4-14,27H,3H2,1-2H3

 
本文导航:
  • (1) ChemDiv1_021109,ZINC00879750,BAS 00253833,EU-0037398, ethyl,1-(4-chlor
  • 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