当前位置: 首页 » 资料 » 化学物质数据库 » ASN 03016820 2-[5,6-dimethyl-4-oxo-3-(2-phenylethyl)thieno[2,,3-d]pyri

ASN 03016820 2-[5,6-dimethyl-4-oxo-3-(2-phenylethyl)thieno[2,,3-d]pyri

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:2
摘 要:ASN 03016820 2-[5,6-dimethyl-4-oxo-3-(2-phenylethyl)thieno[2,,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide,Canonical SMILES: CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3OC)CCC4=CC=CC=C4)C,InChI: InChI=1/C25H25N3O3S2/c1-16-17(2)33-23-22(16
[Synonyms]
ASN 03016820
[Structure]
ASN 03016820 2-[5,6-dimethyl-4-oxo-3-(2-phenylethyl)thieno[2,,3-d]pyri

[ Properties Computed from Structure]
Molecular Weight479.6143 [g/mol]
Molecular FormulaC25H25N3O3S2
XLogP3.2
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count8
Tautomer Count2
Exact Mass479.133733
MonoIsotopic Mass479.133733
Topological Polar Surface Area71
Heavy Atom Count33
Formal Charge0
Complexity728
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-[5,6-dimethyl-4-oxo-3-(2-phenylethyl)thieno[2,
3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
Canonical SMILES: CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3OC)CCC4=CC=CC=C4)C
InChI: InChI=1/C25H25N3O3S2/c1-16-17(2)33-23-22(16)24(30)28(14-13-18-9-5-4-6-
10-18)25(27-23)32-15-21(29)26-19-11-7-8-12-20(19)31-3/h4-12H,13-15H2,
1-3H3,(H,26,29)/f/h26H

 
本文导航:
  • (1) ASN 03016820 2-[5,6-dimethyl-4-oxo-3-(2-phenylethyl)thieno[2,,3-d]pyri
  • 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