当前位置: 首页 » 资料 » 化学物质数据库 » ZINC03547365 4-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin

ZINC03547365 4-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:0
摘 要:ZINC03547365 4-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-,one,Canonical SMILES: C1CN(CCN1C(=O)CCCOC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)F,InChI: InChI=1/C20H22BrFN2O4S/c21-16-3-1-4-18(15-16)28-14-2-5-20(25)23-10-12-24,(13-1
[Synonyms]
ZINC03547365
[Structure]
ZINC03547365 4-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin

[ Properties Computed from Structure]
Molecular Weight485.367083 [g/mol]
Molecular FormulaC20H22BrFN2O4S
XLogP3.4
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count7
Exact Mass484.046769
MonoIsotopic Mass484.046769
Topological Polar Surface Area66.9
Heavy Atom Count29
Formal Charge0
Complexity629
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-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-
one
Canonical SMILES: C1CN(CCN1C(=O)CCCOC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)F
InChI: InChI=1/C20H22BrFN2O4S/c21-16-3-1-4-18(15-16)28-14-2-5-20(25)23-10-12-24
(13-11-23)29(26,27)19-8-6-17(22)7-9-19/h1,3-4,6-9,15H,2,5,10-14H2

 
本文导航:
  • (1) ZINC03547365 4-(3-bromophenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin
  • 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