当前位置: 首页 » 资料 » 化学物质数据库 » N-(3,,4-dimethoxyphenyl)-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-,(phenylm

N-(3,,4-dimethoxyphenyl)-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-,(phenylm

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:6
摘 要: N-(3,,4-dimethoxyphenyl)-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-,(phenylmethylamino)ethyl]pyrazine-2-carboxamide,Canonical SMILES: COC1=C(C=C(C=C1)N(C(C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3)C(=O)C4=NC=CN=C4),OC,Isomeric SMILES: COC1=C(C=C(C=C1)N([C@H](C2=CC=
[Synonyms]

[Structure]
 N-(3,,4-dimethoxyphenyl)-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-,(phenylm

[ Properties Computed from Structure]
Molecular Weight500.520903 [g/mol]
Molecular FormulaC28H25FN4O4
XLogP3.4
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count9
Tautomer Count2
Exact Mass500.185984
MonoIsotopic Mass500.185984
Topological Polar Surface Area93.7
Heavy Atom Count37
Formal Charge0
Complexity729
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(3,
4-dimethoxyphenyl)-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-
(phenylmethylamino)ethyl]pyrazine-2-carboxamide
Canonical SMILES: COC1=C(C=C(C=C1)N(C(C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3)C(=O)C4=NC=CN=C4)
OC
Isomeric SMILES: COC1=C(C=C(C=C1)N([C@H](C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC=C3)C(=O)C4=NC=CN=
C4)OC
InChI: InChI=1/C28H25FN4O4/c1-36-24-13-12-22(16-25(24)37-2)33(28(35)23-18-30-
14-15-31-23)26(20-8-10-21(29)11-9-20)27(34)32-17-19-6-4-3-5-7-19/h3-16,
18,26H,17H2,1-2H3,(H,32,34)/t26-/m1/s1/f/h32H

 
本文导航:
  • (1) N-(3,,4-dimethoxyphenyl)-N-[(1R)-1-(4-fluorophenyl)-2-oxo-2-,(phenylm
  • 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