当前位置: 首页 » 资料 » 化学物质数据库 » STK044190,ZINC00881538,BAS 02818690,AG-690/15429949,1-(3-Benzothiazol-

STK044190,ZINC00881538,BAS 02818690,AG-690/15429949,1-(3-Benzothiazol-

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:2
摘 要:STK044190,ZINC00881538,BAS 02818690,AG-690/15429949,1-(3-Benzothiazol-2-yl-phenyl)-3-(3,4-dimethoxy-benzoyl)-thiourea, N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3,,4-dimethoxybenzamide,Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=
[Synonyms]
STK044190
ZINC00881538
BAS 02818690
AG-690/15429949
1-(3-Benzothiazol-2-yl-phenyl)-3-(3,4-dimethoxy-benzoyl)-thiourea

[Structure]
STK044190,ZINC00881538,BAS 02818690,AG-690/15429949,1-(3-Benzothiazol-

[ Properties Computed from Structure]
Molecular Weight449.54526 [g/mol]
Molecular FormulaC23H19N3O3S2
XLogP4.2
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count5
Exact Mass449.086783
MonoIsotopic Mass449.086783
Topological Polar Surface Area72.5
Heavy Atom Count31
Formal Charge0
Complexity637
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-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3,
4-dimethoxybenzamide
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)OC
InChI: InChI=1/C23H19N3O3S2/c1-28-18-11-10-14(13-19(18)29-2)21(27)26-23(30)24-
16-7-5-6-15(12-16)22-25-17-8-3-4-9-20(17)31-22/h3-13H,1-2H3,(H2,24,26,
27,30)/f/h24,26H

 
本文导航:
  • (1) STK044190,ZINC00881538,BAS 02818690,AG-690/15429949,1-(3-Benzothiazol-
  • 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