当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_871538,STK026718,ZINC00881667,BAS 02819104,AG-690/15430073,1-(6

Oprea1_871538,STK026718,ZINC00881667,BAS 02819104,AG-690/15430073,1-(6

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:8
摘 要:Oprea1_871538,STK026718,ZINC00881667,BAS 02819104,AG-690/15430073,1-(6-Methyl-pyridin-2-yl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea, 3,4,5-trimethoxy-N-[(6-methylpyridin-2-yl)carbamothioyl]benzamide,Canonical SMILES: CC1=NC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(
[Synonyms]
Oprea1_871538
STK026718
ZINC00881667
BAS 02819104
AG-690/15430073
1-(6-Methyl-pyridin-2-yl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea

[Structure]
Oprea1_871538,STK026718,ZINC00881667,BAS 02819104,AG-690/15430073,1-(6

[ Properties Computed from Structure]
Molecular Weight361.41546 [g/mol]
Molecular FormulaC17H19N3O4S
XLogP2.3
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count8
Exact Mass361.109627
MonoIsotopic Mass361.109627
Topological Polar Surface Area81.7
Heavy Atom Count25
Formal Charge0
Complexity451
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: 3,4,5-trimethoxy-N-[(6-methylpyridin-2-yl)carbamothioyl]benzamide
Canonical SMILES: CC1=NC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI: InChI=1/C17H19N3O4S/c1-10-6-5-7-14(18-10)19-17(25)20-16(21)11-8-12(22-2)
15(24-4)13(9-11)23-3/h5-9H,1-4H3,(H2,18,19,20,21,25)/f/h19-20H

 
本文导航:
  • (1) Oprea1_871538,STK026718,ZINC00881667,BAS 02819104,AG-690/15430073,1-(6
  • 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