当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_083158,Oprea1_210769,ZINC00881243,BAS 02812990,AG-690/15436315,

Oprea1_083158,Oprea1_210769,ZINC00881243,BAS 02812990,AG-690/15436315,

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:6
摘 要:Oprea1_083158,Oprea1_210769,ZINC00881243,BAS 02812990,AG-690/15436315,N-[4-(cyanomethyl)phenyl]-2-[2,4-dimethyl(methylsulfonyl)anilino]acetamide, N-[4-(cyanomethyl)phenyl]-2-[(2,,4-dimethylphenyl)-methylsulfonylamino]acetamide,Canonical SMILES: CC1=C
[Synonyms]
Oprea1_083158
Oprea1_210769
ZINC00881243
BAS 02812990
AG-690/15436315
N-[4-(cyanomethyl)phenyl]-2-[2,4-dimethyl(methylsulfonyl)anilino]acetamide

[Structure]
Oprea1_083158,Oprea1_210769,ZINC00881243,BAS 02812990,AG-690/15436315,

[ Properties Computed from Structure]
Molecular Weight371.45334 [g/mol]
Molecular FormulaC19H21N3O3S
XLogP2.8
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count2
Exact Mass371.130362
MonoIsotopic Mass371.130362
Topological Polar Surface Area90.3
Heavy Atom Count26
Formal Charge0
Complexity626
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: N-[4-(cyanomethyl)phenyl]-2-[(2,
4-dimethylphenyl)-methylsulfonylamino]acetamide
Canonical SMILES: CC1=CC(=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C)C
InChI: InChI=1/C19H21N3O3S/c1-14-4-9-18(15(2)12-14)22(26(3,
24)25)13-19(23)21-17-7-5-16(6-8-17)10-11-20/h4-9,12H,10,13H2,1-3H3,(H,
21,23)/f/h21H

 
本文导航:
  • (1) Oprea1_083158,Oprea1_210769,ZINC00881243,BAS 02812990,AG-690/15436315,
  • 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