当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_825930,ZINC00881729,ASN 03436264, N'-[2,,5-dimethoxy-4-(thiophe

Oprea1_825930,ZINC00881729,ASN 03436264, N'-[2,,5-dimethoxy-4-(thiophe

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:5
摘 要:Oprea1_825930,ZINC00881729,ASN 03436264, N'-[2,,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-naphthalen-1-,ylbutanediamide,Canonical SMILES: COC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)NC(=O)CCC(=O)NC3=CC=CC4=CC=CC=C43,InChI: InChI=1/C27H25N3O5S/c1-34-22
[Synonyms]
Oprea1_825930
ZINC00881729
ASN 03436264

[Structure]
Oprea1_825930,ZINC00881729,ASN 03436264, N'-[2,,5-dimethoxy-4-(thiophe

[ Properties Computed from Structure]
Molecular Weight503.5695 [g/mol]
Molecular FormulaC27H25N3O5S
XLogP2.7
H-Bond Donor3
H-Bond Acceptor5
Rotatable Bond Count9
Tautomer Count8
Exact Mass503.151492
MonoIsotopic Mass503.151492
Topological Polar Surface Area106
Heavy Atom Count36
Formal Charge0
Complexity768
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'-[2,
5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-naphthalen-1-
ylbutanediamide
Canonical SMILES: COC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)NC(=O)CCC(=O)NC3=CC=CC4=CC=CC=C43
InChI: InChI=1/C27H25N3O5S/c1-34-22-16-21(30-27(33)24-11-6-14-36-24)23(35-2)15-
20(22)29-26(32)13-12-25(31)28-19-10-5-8-17-7-3-4-9-18(17)19/h3-11,
14-16H,12-13H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)/f/h28-30H

 
本文导航:
  • (1) Oprea1_825930,ZINC00881729,ASN 03436264, N'-[2,,5-dimethoxy-4-(thiophe
  • 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