当前位置: 首页 » 资料 » 化学物质数据库 » STK173128,BAS 02819341,AG-690/15430212,1-[2-(2-Chloro-phenyl)-benzooxa

STK173128,BAS 02819341,AG-690/15430212,1-[2-(2-Chloro-phenyl)-benzooxa

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:2
摘 要:STK173128,BAS 02819341,AG-690/15430212,1-[2-(2-Chloro-phenyl)-benzooxazol-5-yl]-3-(3,4,5-trimethoxy-benzoyl)-thiourea, N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4,,5-trimethoxybenzamide,Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC
[Synonyms]
STK173128
BAS 02819341
AG-690/15430212
1-[2-(2-Chloro-phenyl)-benzooxazol-5-yl]-3-(3,4,5-trimethoxy-benzoyl)-thiourea

[Structure]
STK173128,BAS 02819341,AG-690/15430212,1-[2-(2-Chloro-phenyl)-benzooxa

[ Properties Computed from Structure]
Molecular Weight497.9507 [g/mol]
Molecular FormulaC24H20ClN3O5S
XLogP4.3
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count6
Tautomer Count5
Exact Mass497.081219
MonoIsotopic Mass497.081219
Topological Polar Surface Area94.9
Heavy Atom Count34
Formal Charge0
Complexity704
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-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4,
5-trimethoxybenzamide
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Cl
InChI: InChI=1/C24H20ClN3O5S/c1-30-19-10-13(11-20(31-2)21(19)32-3)22(29)28-24
(34)26-14-8-9-18-17(12-14)27-23(33-18)15-6-4-5-7-16(15)25/h4-12H,1-3H3,
(H2,26,28,29,34)/f/h26,28H

 
本文导航:
  • (1) STK173128,BAS 02819341,AG-690/15430212,1-[2-(2-Chloro-phenyl)-benzooxa
  • 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