当前位置: 首页 » 资料 » 化学物质数据库 » MLS000123978,ZINC00882494,BAS 02826416,SMR000124496,2-[Benzenesulfonyl

MLS000123978,ZINC00882494,BAS 02826416,SMR000124496,2-[Benzenesulfonyl

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:2
摘 要:MLS000123978,ZINC00882494,BAS 02826416,SMR000124496,2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide, 2-[(2-methoxyphenyl)-phenylsulfonylamino]-N-pyridin-3-ylacetamide,Canonical SMILES: COC1=CC=CC=C1N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)
[Synonyms]
MLS000123978
ZINC00882494
BAS 02826416
SMR000124496
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide

[Structure]
MLS000123978,ZINC00882494,BAS 02826416,SMR000124496,2-[Benzenesulfonyl

[ Properties Computed from Structure]
Molecular Weight397.44756 [g/mol]
Molecular FormulaC20H19N3O4S
XLogP2.7
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count7
Tautomer Count2
Exact Mass397.109627
MonoIsotopic Mass397.109627
Topological Polar Surface Area88.6
Heavy Atom Count28
Formal Charge0
Complexity601
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-methoxyphenyl)-phenylsulfonylamino]-N-pyridin-3-ylacetamide
Canonical SMILES: COC1=CC=CC=C1N(CC(=O)NC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1/C20H19N3O4S/c1-27-19-12-6-5-11-18(19)23(28(25,
26)17-9-3-2-4-10-17)15-20(24)22-16-8-7-13-21-14-16/h2-14H,15H2,1H3,(H,
22,24)/f/h22H

 
本文导航:
  • (1) MLS000123978,ZINC00882494,BAS 02826416,SMR000124496,2-[Benzenesulfonyl
  • 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