当前位置: 首页 » 资料 » 化学物质数据库 » ZINC03419917,T5297316, [2-[(2-bromophenyl)amino]-2-oxoethyl] 2-methyls

ZINC03419917,T5297316, [2-[(2-bromophenyl)amino]-2-oxoethyl] 2-methyls

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:5
摘 要:ZINC03419917,T5297316, [2-[(2-bromophenyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate,Canonical SMILES: CSC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=CC=C2Br,InChI: InChI=1/C16H14BrNO3S/c1-22-14-9-5-2-6-11(14)16(20)21-10-15(19)18-13-8-4-,3-7-12(13)17/h2-9H,10H2,1H
[Synonyms]
ZINC03419917
T5297316

[Structure]
ZINC03419917,T5297316, [2-[(2-bromophenyl)amino]-2-oxoethyl] 2-methyls

[ Properties Computed from Structure]
Molecular Weight380.25626 [g/mol]
Molecular FormulaC16H14BrNO3S
XLogP4.2
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count6
Tautomer Count2
Exact Mass378.987777
MonoIsotopic Mass378.987777
Topological Polar Surface Area55.4
Heavy Atom Count22
Formal Charge0
Complexity394
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: [2-[(2-bromophenyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
Canonical SMILES: CSC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=CC=C2Br
InChI: InChI=1/C16H14BrNO3S/c1-22-14-9-5-2-6-11(14)16(20)21-10-15(19)18-13-8-4-
3-7-12(13)17/h2-9H,10H2,1H3,(H,18,19)/f/h18H

 
本文导航:
  • (1) ZINC03419917,T5297316, [2-[(2-bromophenyl)amino]-2-oxoethyl] 2-methyls
  • 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