当前位置: 首页 » 资料 » 化学物质数据库 » STK141402,ZINC00881777,BAS 02819308,AG-690/15430193,1-(3-Chloro-phenyl

STK141402,ZINC00881777,BAS 02819308,AG-690/15430193,1-(3-Chloro-phenyl

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:1
摘 要:STK141402,ZINC00881777,BAS 02819308,AG-690/15430193,1-(3-Chloro-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea, N-[(3-chlorophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide,Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=CC=C2)Cl,InChI: InChI
[Synonyms]
STK141402
ZINC00881777
BAS 02819308
AG-690/15430193
1-(3-Chloro-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea

[Structure]
STK141402,ZINC00881777,BAS 02819308,AG-690/15430193,1-(3-Chloro-phenyl

[ Properties Computed from Structure]
Molecular Weight380.84588 [g/mol]
Molecular FormulaC17H17ClN2O4S
XLogP3.1
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
Complexity454
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-chlorophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=CC=C2)Cl
InChI: InChI=1/C17H17ClN2O4S/c1-22-13-7-10(8-14(23-2)15(13)24-3)16(21)20-17(25)
19-12-6-4-5-11(18)9-12/h4-9H,1-3H3,(H2,19,20,21,25)/f/h19-20H

 
本文导航:
  • (1) STK141402,ZINC00881777,BAS 02819308,AG-690/15430193,1-(3-Chloro-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