当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00933988,ASN 03108019,N-(3-Nitro-phenyl)-2-(4-pyridin-2-yl-4H-[1,2

ZINC00933988,ASN 03108019,N-(3-Nitro-phenyl)-2-(4-pyridin-2-yl-4H-[1,2

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:2
摘 要:ZINC00933988,ASN 03108019,N-(3-Nitro-phenyl)-2-(4-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide, N-(3-nitrophenyl)-2-[(4-pyridin-2-yl-1,2,,4-triazol-3-yl)sulfanyl]acetamide,Canonical SMILES: C1=CC=NC(=C1)N2C=NN=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O
[Synonyms]
ZINC00933988
ASN 03108019
N-(3-Nitro-phenyl)-2-(4-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide

[Structure]
ZINC00933988,ASN 03108019,N-(3-Nitro-phenyl)-2-(4-pyridin-2-yl-4H-[1,2

[ Properties Computed from Structure]
Molecular Weight356.35918 [g/mol]
Molecular FormulaC15H12N6O3S
XLogP3.5
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count5
Tautomer Count2
Exact Mass356.069159
MonoIsotopic Mass356.069159
Topological Polar Surface Area116
Heavy Atom Count25
Formal Charge0
Complexity477
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-nitrophenyl)-2-[(4-pyridin-2-yl-1,2,
4-triazol-3-yl)sulfanyl]acetamide
Canonical SMILES: C1=CC=NC(=C1)N2C=NN=C2SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1/C15H12N6O3S/c22-14(18-11-4-3-5-12(8-11)21(23)24)9-25-15-19-17-
10-20(15)13-6-1-2-7-16-13/h1-8,10H,9H2,(H,18,22)/f/h18H

 
本文导航:
  • (1) ZINC00933988,ASN 03108019,N-(3-Nitro-phenyl)-2-(4-pyridin-2-yl-4H-[1,2
  • 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