当前位置: 首页 » 资料 » 化学物质数据库 » STK267028,ZINC04841250, N-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)

STK267028,ZINC04841250, N-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:7
摘 要:STK267028,ZINC04841250, N-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide,Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(C(=CC=C2)Cl)C,InChI: InChI=1/C16H16ClNO3S/c1-11-6-8-13(9-7-11)22(20,,21)10-16(19)18-15-5-3-4-14(17)12(15)2/h3
[Synonyms]
STK267028
ZINC04841250

[Structure]
STK267028,ZINC04841250, N-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)

[ Properties Computed from Structure]
Molecular Weight337.82114 [g/mol]
Molecular FormulaC16H16ClNO3S
XLogP3.9
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count2
Exact Mass337.053942
MonoIsotopic Mass337.053942
Topological Polar Surface Area63.2
Heavy Atom Count22
Formal Charge0
Complexity480
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-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfonylacetamide
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(C(=CC=C2)Cl)C
InChI: InChI=1/C16H16ClNO3S/c1-11-6-8-13(9-7-11)22(20,
21)10-16(19)18-15-5-3-4-14(17)12(15)2/h3-9H,10H2,1-2H3,(H,18,19)/f/h18H

 
本文导航:
  • (1) STK267028,ZINC04841250, N-(3-chloro-2-methylphenyl)-2-(4-methylphenyl)
  • 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