当前位置: 首页 » 资料 » 化学物质数据库 » STK090277,ZINC00881635,BAS 02818818,AG-690/15430048,1-(4-Bromo-phenyl)

STK090277,ZINC00881635,BAS 02818818,AG-690/15430048,1-(4-Bromo-phenyl)

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:31
摘 要:STK090277,ZINC00881635,BAS 02818818,AG-690/15430048,1-(4-Bromo-phenyl)-3-(3,4-dimethoxy-benzoyl)-thiourea, N-[(4-bromophenyl)carbamothioyl]-3,4-dimethoxybenzamide,Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)Br)OC,InChI: InChI=1/C16H15B
[Synonyms]
STK090277
ZINC00881635
BAS 02818818
AG-690/15430048
1-(4-Bromo-phenyl)-3-(3,4-dimethoxy-benzoyl)-thiourea

[Structure]
STK090277,ZINC00881635,BAS 02818818,AG-690/15430048,1-(4-Bromo-phenyl)

[ Properties Computed from Structure]
Molecular Weight395.2709 [g/mol]
Molecular FormulaC16H15BrN2O3S
XLogP3.5
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count5
Exact Mass393.998676
MonoIsotopic Mass393.998676
Topological Polar Surface Area59.6
Heavy Atom Count23
Formal Charge0
Complexity416
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-bromophenyl)carbamothioyl]-3,4-dimethoxybenzamide
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)Br)OC
InChI: InChI=1/C16H15BrN2O3S/c1-21-13-8-3-10(9-14(13)22-2)15(20)19-16(23)18-12-
6-4-11(17)5-7-12/h3-9H,1-2H3,(H2,18,19,20,23)/f/h18-19H

 
本文导航:
  • (1) STK090277,ZINC00881635,BAS 02818818,AG-690/15430048,1-(4-Bromo-phenyl)
  • 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