当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00932129,ASN 04455061, N-(4-acetylphenyl)-2-[1-(2,,5-dimethoxyphen

ZINC00932129,ASN 04455061, N-(4-acetylphenyl)-2-[1-(2,,5-dimethoxyphen

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:3
摘 要:ZINC00932129,ASN 04455061, N-(4-acetylphenyl)-2-[1-(2,,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide,Canonical SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=C(C=CC(=C3)OC)OC,InChI: InChI=1/C19H19N5O4S/c1-12(25)13-4-6-14(7-5-13)20-18(26)11-29-19-
[Synonyms]
ZINC00932129
ASN 04455061

[Structure]
ZINC00932129,ASN 04455061, N-(4-acetylphenyl)-2-[1-(2,,5-dimethoxyphen

[ Properties Computed from Structure]
Molecular Weight413.45026 [g/mol]
Molecular FormulaC19H19N5O4S
XLogP1.5
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count8
Tautomer Count9
Exact Mass413.115775
MonoIsotopic Mass413.115775
Topological Polar Surface Area108
Heavy Atom Count29
Formal Charge0
Complexity561
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-acetylphenyl)-2-[1-(2,
5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
Canonical SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=C(C=CC(=C3)OC)OC
InChI: InChI=1/C19H19N5O4S/c1-12(25)13-4-6-14(7-5-13)20-18(26)11-29-19-21-22-
23-24(19)16-10-15(27-2)8-9-17(16)28-3/h4-10H,11H2,1-3H3,(H,20,26)/f/h20H

 
本文导航:
  • (1) ZINC00932129,ASN 04455061, N-(4-acetylphenyl)-2-[1-(2,,5-dimethoxyphen
  • 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