当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_836849 1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinol

Oprea1_836849 1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinol

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:2
摘 要:Oprea1_836849 1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-,3-phenylurea,Canonical SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4,InChI: InChI=1/C25H22FN3O3/c1-32-22-12-9-18-13-19(24(30)28-23(18)14
[Synonyms]
Oprea1_836849
[Structure]
Oprea1_836849 1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinol

[ Properties Computed from Structure]
Molecular Weight431.458883 [g/mol]
Molecular FormulaC25H22FN3O3
XLogP3.7
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count4
Exact Mass431.16452
MonoIsotopic Mass431.16452
Topological Polar Surface Area70.7
Heavy Atom Count32
Formal Charge0
Complexity686
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: 1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-
3-phenylurea
Canonical SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4
InChI: InChI=1/C25H22FN3O3/c1-32-22-12-9-18-13-19(24(30)28-23(18)14-22)16-29
(15-17-7-10-20(26)11-8-17)25(31)27-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,
(H,27,31)(H,28,30)/f/h27-28H

 
本文导航:
  • (1) Oprea1_836849 1-[(4-fluorophenyl)methyl]-1-[(7-methoxy-2-oxo-1H-quinol
  • 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