当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00881989,BAS 02820056,AG-690/15430504,1-(2,6-Dimethyl-phenyl)-3-(4

ZINC00881989,BAS 02820056,AG-690/15430504,1-(2,6-Dimethyl-phenyl)-3-(4

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:3
摘 要:ZINC00881989,BAS 02820056,AG-690/15430504,1-(2,6-Dimethyl-phenyl)-3-(4-methoxy-3-nitro-benzoyl)-thiourea, N-[(2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide,Canonical SMILES: CC1=C(C(=CC=C1)C)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-],In
[Synonyms]
ZINC00881989
BAS 02820056
AG-690/15430504
1-(2,6-Dimethyl-phenyl)-3-(4-methoxy-3-nitro-benzoyl)-thiourea

[Structure]
ZINC00881989,BAS 02820056,AG-690/15430504,1-(2,6-Dimethyl-phenyl)-3-(4

[ Properties Computed from Structure]
Molecular Weight359.39958 [g/mol]
Molecular FormulaC17H17N3O4S
XLogP3.4
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count3
Tautomer Count5
Exact Mass359.093977
MonoIsotopic Mass359.093977
Topological Polar Surface Area93.5
Heavy Atom Count25
Formal Charge0
Complexity501
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-[(2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
Canonical SMILES: CC1=C(C(=CC=C1)C)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]
InChI: InChI=1/C17H17N3O4S/c1-10-5-4-6-11(2)15(10)18-17(25)19-16(21)12-7-8-14
(24-3)13(9-12)20(22)23/h4-9H,1-3H3,(H2,18,19,21,25)/f/h18-19H

 
本文导航:
  • (1) ZINC00881989,BAS 02820056,AG-690/15430504,1-(2,6-Dimethyl-phenyl)-3-(4
  • 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