当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00929488,ASN 04392635, 2-[[5-(3,5-dimethoxyphenyl)-1,3,,4-oxadiazo

ZINC00929488,ASN 04392635, 2-[[5-(3,5-dimethoxyphenyl)-1,3,,4-oxadiazo

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:4
摘 要:ZINC00929488,ASN 04392635, 2-[[5-(3,5-dimethoxyphenyl)-1,3,,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide,Canonical SMILES: COC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)NCC3=CC=CO3)OC,InChI: InChI=1/C17H17N3O5S/c1-22-13-6-11(7-14(8-13)23-2)16-19-20-1
[Synonyms]
ZINC00929488
ASN 04392635

[Structure]
ZINC00929488,ASN 04392635, 2-[[5-(3,5-dimethoxyphenyl)-1,3,,4-oxadiazo

[ Properties Computed from Structure]
Molecular Weight375.39898 [g/mol]
Molecular FormulaC17H17N3O5S
XLogP2.8
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count8
Tautomer Count2
Exact Mass375.088891
MonoIsotopic Mass375.088891
Topological Polar Surface Area99.6
Heavy Atom Count26
Formal Charge0
Complexity446
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-[[5-(3,5-dimethoxyphenyl)-1,3,
4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Canonical SMILES: COC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)NCC3=CC=CO3)OC
InChI: InChI=1/C17H17N3O5S/c1-22-13-6-11(7-14(8-13)23-2)16-19-20-17(25-16)26-
10-15(21)18-9-12-4-3-5-24-12/h3-8H,9-10H2,1-2H3,(H,18,21)/f/h18H

 
本文导航:
  • (1) ZINC00929488,ASN 04392635, 2-[[5-(3,5-dimethoxyphenyl)-1,3,,4-oxadiazo
  • 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