当前位置: 首页 » 资料 » 化学物质数据库 » methyl,2-[[4-(furan-2-ylmethyl)-5-[[[3-(trifluoromethyl)phenyl]amino]

methyl,2-[[4-(furan-2-ylmethyl)-5-[[[3-(trifluoromethyl)phenyl]amino]

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要: methyl,2-[[4-(furan-2-ylmethyl)-5-[[[3-(trifluoromethyl)phenyl]amino]methyl]-1,,2,4-triazol-3-yl]sulfanyl]acetate,Canonical SMILES: COC(=O)CSC1=NN=C(N1CC2=CC=CO2)CNC3=CC=CC(=C3)C(F)(F)F,InChI: InChI=1/C18H17F3N4O3S/c1-27-16(26)11-29-17-24-23-15(25(1
[Synonyms]

[Structure]
 methyl,2-[[4-(furan-2-ylmethyl)-5-[[[3-(trifluoromethyl)phenyl]amino]

[ Properties Computed from Structure]
Molecular Weight426.41279 [g/mol]
Molecular FormulaC18H17F3N4O3S
XLogP4.2
H-Bond Donor1
H-Bond Acceptor10
Rotatable Bond Count9
Exact Mass426.097346
MonoIsotopic Mass426.097346
Topological Polar Surface Area82.2
Heavy Atom Count29
Formal Charge0
Complexity543
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: methyl
2-[[4-(furan-2-ylmethyl)-5-[[[3-(trifluoromethyl)phenyl]amino]methyl]-1,
2,4-triazol-3-yl]sulfanyl]acetate
Canonical SMILES: COC(=O)CSC1=NN=C(N1CC2=CC=CO2)CNC3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1/C18H17F3N4O3S/c1-27-16(26)11-29-17-24-23-15(25(17)10-14-6-3-7-
28-14)9-22-13-5-2-4-12(8-13)18(19,20)21/h2-8,22H,9-11H2,1H3

 
本文导航:
  • (1) methyl,2-[[4-(furan-2-ylmethyl)-5-[[[3-(trifluoromethyl)phenyl]amino]
  • 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