当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_059172,Oprea1_337984,ASN 03431996, N-[4-(2,5-dimethoxyphenyl)-1

Oprea1_059172,Oprea1_337984,ASN 03431996, N-[4-(2,5-dimethoxyphenyl)-1

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:9
摘 要:Oprea1_059172,Oprea1_337984,ASN 03431996, N-[4-(2,5-dimethoxyphenyl)-1,,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide,Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CCCN3CCOCC3)C(=O)CC4=CC=CC=C4,InChI: InChI=1/C26H31N3O4S/c1-31-21-9
[Synonyms]
Oprea1_059172
Oprea1_337984
ASN 03431996

[Structure]
Oprea1_059172,Oprea1_337984,ASN 03431996, N-[4-(2,5-dimethoxyphenyl)-1

[ Properties Computed from Structure]
Molecular Weight481.60704 [g/mol]
Molecular FormulaC26H31N3O4S
XLogP3.4
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count10
Exact Mass481.203527
MonoIsotopic Mass481.203527
Topological Polar Surface Area64.1
Heavy Atom Count34
Formal Charge0
Complexity615
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-(2,5-dimethoxyphenyl)-1,
3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CCCN3CCOCC3)C(=O)CC4=CC=CC=C4
InChI: InChI=1/C26H31N3O4S/c1-31-21-9-10-24(32-2)22(18-21)23-19-34-26(27-23)29
(12-6-11-28-13-15-33-16-14-28)25(30)17-20-7-4-3-5-8-20/h3-5,7-10,18-19H,
6,11-17H2,1-2H3

 
本文导航:
  • (1) Oprea1_059172,Oprea1_337984,ASN 03431996, N-[4-(2,5-dimethoxyphenyl)-1
  • 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