当前位置: 首页 » 资料 » 化学物质数据库 » (5R)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-

(5R)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:7
摘 要: (5R)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-,methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione,Canonical SMILES: CC1=CC(=NO1)N2C(C(=C(C3=CC=C(C=C3)OC)O)C(=O)C2=O)C4=CC=C(C=C4)Br,Isomeric SMILES: CC1=CC(=NO1)N2[C@@H](C(=C(C3=CC=C(
[Synonyms]

[Structure]
 (5R)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-

[ Properties Computed from Structure]
Molecular Weight469.28478 [g/mol]
Molecular FormulaC22H17BrN2O5
XLogP4.5
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count4
Tautomer Count3
Exact Mass468.032084
MonoIsotopic Mass468.032084
Topological Polar Surface Area92.9
Heavy Atom Count30
Formal Charge0
Complexity698
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (5R)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-
methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Canonical SMILES: CC1=CC(=NO1)N2C(C(=C(C3=CC=C(C=C3)OC)O)C(=O)C2=O)C4=CC=C(C=C4)Br
Isomeric SMILES: CC1=CC(=NO1)N2[C@@H](C(=C(C3=CC=C(C=C3)OC)O)C(=O)C2=O)C4=CC=C(C=C4)Br
InChI: InChI=1/C22H17BrN2O5/c1-12-11-17(24-30-12)25-19(13-3-7-15(23)8-4-13)18
(21(27)22(25)28)20(26)14-5-9-16(29-2)10-6-14/h3-11,19,26H,
1-2H3/t19-/m1/s1

 
本文导航:
  • (1) (5R)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(5-
  • 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