当前位置: 首页 » 资料 » 化学物质数据库 » STK090376,ZINC00881615,BAS 02818792,AG-690/15430031,1-(3-Chloro-4-meth

STK090376,ZINC00881615,BAS 02818792,AG-690/15430031,1-(3-Chloro-4-meth

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:5
摘 要:STK090376,ZINC00881615,BAS 02818792,AG-690/15430031,1-(3-Chloro-4-methoxy-phenyl)-3-(3,4-dimethoxy-benzoyl)-thiourea, N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3,4-dimethoxybenzamide,Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl
[Synonyms]
STK090376
ZINC00881615
BAS 02818792
AG-690/15430031
1-(3-Chloro-4-methoxy-phenyl)-3-(3,4-dimethoxy-benzoyl)-thiourea

[Structure]
STK090376,ZINC00881615,BAS 02818792,AG-690/15430031,1-(3-Chloro-4-meth

[ Properties Computed from Structure]
Molecular Weight380.84588 [g/mol]
Molecular FormulaC17H17ClN2O4S
XLogP3.3
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count5
Exact Mass380.059755
MonoIsotopic Mass380.059755
Topological Polar Surface Area68.8
Heavy Atom Count25
Formal Charge0
Complexity468
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-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3,4-dimethoxybenzamide
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)Cl)OC
InChI: InChI=1/C17H17ClN2O4S/c1-22-13-7-5-11(9-12(13)18)19-17(25)20-16(21)10-4-
6-14(23-2)15(8-10)24-3/h4-9H,1-3H3,(H2,19,20,21,25)/f/h19-20H

 
本文导航:
  • (1) STK090376,ZINC00881615,BAS 02818792,AG-690/15430031,1-(3-Chloro-4-meth
  • 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