当前位置: 首页 » 资料 » 化学物质数据库 » STOCK4S-92007,ZINC00192493, 4-[(4-methoxyphenyl)methylideneamino]-2-me

澳门威尼斯人线上娱乐

放大字体  缩小字体 更新日期:2018-05-07  浏览次数:1
摘 要:STOCK4S-92007,ZINC00192493, 4-[(4-methoxyphenyl)methylideneamino]-2-methylpyrazole-3-carboxamide,Canonical SMILES: CN1C(=C(C=N1)N=CC2=CC=C(C=C2)OC)C(=O)N,InChI: InChI=1/C13H14N4O2/c1-17-12(13(14)18)11(8-16-17)15-7-9-3-5-10(19-2)6-4-,9/h3-8H,1-2H3,(H2
[Synonyms]
STOCK4S-92007
ZINC00192493

[Structure]
STOCK4S-92007,ZINC00192493, 4-[(4-methoxyphenyl)methylideneamino]-2-me

[ Properties Computed from Structure]
Molecular Weight258.27586 [g/mol]
Molecular FormulaC13H14N4O2
XLogP1.1
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count4
Tautomer Count2
Exact Mass258.111676
MonoIsotopic Mass258.111676
Topological Polar Surface Area82.5
Heavy Atom Count19
Formal Charge0
Complexity340
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-[(4-methoxyphenyl)methylideneamino]-2-methylpyrazole-3-carboxamide
Canonical SMILES: CN1C(=C(C=N1)N=CC2=CC=C(C=C2)OC)C(=O)N
InChI: InChI=1/C13H14N4O2/c1-17-12(13(14)18)11(8-16-17)15-7-9-3-5-10(19-2)6-4-
9/h3-8H,1-2H3,(H2,14,18)/b15-7+/f/h14H2

 
本文导航:
  • (1) STOCK4S-92007,ZINC00192493, 4-[(4-methoxyphenyl)methylideneamino]-2-me
  • 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