当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_223752,ZINC00881713,ASN 03436242, N-[2,,5-dimethoxy-4-(thiophen

Oprea1_223752,ZINC00881713,ASN 03436242, N-[2,,5-dimethoxy-4-(thiophen

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要:Oprea1_223752,ZINC00881713,ASN 03436242, N-[2,,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N'-quinolin-3-,ylbutanediamide,Canonical SMILES: COC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)NC(=O)CCC(=O)NC3=CC4=CC=CC=C4N=C3,InChI: InChI=1/C26H24N4O5S/c1-34-21-1
[Synonyms]
Oprea1_223752
ZINC00881713
ASN 03436242

[Structure]
Oprea1_223752,ZINC00881713,ASN 03436242, N-[2,,5-dimethoxy-4-(thiophen

[ Properties Computed from Structure]
Molecular Weight504.55756 [g/mol]
Molecular FormulaC26H24N4O5S
XLogP1.5
H-Bond Donor3
H-Bond Acceptor6
Rotatable Bond Count9
Tautomer Count8
Exact Mass504.146741
MonoIsotopic Mass504.146741
Topological Polar Surface Area119
Heavy Atom Count36
Formal Charge0
Complexity771
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'-quinolin-3-
ylbutanediamide
Canonical SMILES: COC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)NC(=O)CCC(=O)NC3=CC4=CC=CC=C4N=C3
InChI: InChI=1/C26H24N4O5S/c1-34-21-14-20(30-26(33)23-8-5-11-36-23)22(35-2)13-
19(21)29-25(32)10-9-24(31)28-17-12-16-6-3-4-7-18(16)27-15-17/h3-8,
11-15H,9-10H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)/f/h28-30H

 
本文导航:
  • (1) Oprea1_223752,ZINC00881713,ASN 03436242, N-[2,,5-dimethoxy-4-(thiophen
  • 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