当前位置: 首页 » 资料 » 化学物质数据库 » 4-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)-3-(2,3,,5-trim

4-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)-3-(2,3,,5-trim

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:5
摘 要: 4-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)-3-(2,3,,5-trimethylphenoxy)chromen-7-one,Canonical SMILES: CC1=CC(=C(C(=C1)OC2=C(OC3=C(C(=O)C=CC3=C2O)CN4CCOCC4)C(F)(F)F)C)C,InChI: InChI=1/C24H24F3NO5/c1-13-10-14(2)15(3)19(11-13)32-22-20(30)16
[Synonyms]

[Structure]
 4-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)-3-(2,3,,5-trim

[ Properties Computed from Structure]
Molecular Weight463.44627 [g/mol]
Molecular FormulaC24H24F3NO5
XLogP3.7
H-Bond Donor1
H-Bond Acceptor9
Rotatable Bond Count4
Tautomer Count5
Exact Mass463.160657
MonoIsotopic Mass463.160657
Topological Polar Surface Area68.2
Heavy Atom Count33
Formal Charge0
Complexity927
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: 4-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)-3-(2,3,
5-trimethylphenoxy)chromen-7-one
Canonical SMILES: CC1=CC(=C(C(=C1)OC2=C(OC3=C(C(=O)C=CC3=C2O)CN4CCOCC4)C(F)(F)F)C)C
InChI: InChI=1/C24H24F3NO5/c1-13-10-14(2)15(3)19(11-13)32-22-20(30)16-4-5-18
(29)17(12-28-6-8-31-9-7-28)21(16)33-23(22)24(25,26)27/h4-5,10-11,30H,
6-9,12H2,1-3H3

 
本文导航:
  • (1) 4-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)-3-(2,3,,5-trim
  • 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