当前位置: 首页 » 资料 » 化学物质数据库 » ZINC01377221,ASN 05020134, cyclohexyl-[4-(2,5,6-trimethylthieno[3,,2-e

ZINC01377221,ASN 05020134, cyclohexyl-[4-(2,5,6-trimethylthieno[3,,2-e

放大字体  缩小字体 更新日期:2018-11-27  浏览次数:1
摘 要:ZINC01377221,ASN 05020134, cyclohexyl-[4-(2,5,6-trimethylthieno[3,,2-e]pyrimidin-4-yl)piperazin-1-yl]methanone,Canonical SMILES: CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)C4CCCCC4)C)C,InChI: InChI=1/C20H28N4OS/c1-13-14(2)26-19-17(13)18(21-15(3)22-19)23-9-
[Synonyms]
ZINC01377221
ASN 05020134

[Structure]
ZINC01377221,ASN 05020134, cyclohexyl-[4-(2,5,6-trimethylthieno[3,,2-e

[ Properties Computed from Structure]
Molecular Weight372.52752 [g/mol]
Molecular FormulaC20H28N4OS
XLogP3.2
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count2
Exact Mass372.198382
MonoIsotopic Mass372.198382
Topological Polar Surface Area49.3
Heavy Atom Count26
Formal Charge0
Complexity504
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: cyclohexyl-[4-(2,5,6-trimethylthieno[3,
2-e]pyrimidin-4-yl)piperazin-1-yl]methanone
Canonical SMILES: CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C(=O)C4CCCCC4)C)C
InChI: InChI=1/C20H28N4OS/c1-13-14(2)26-19-17(13)18(21-15(3)22-19)23-9-11-24
(12-10-23)20(25)16-7-5-4-6-8-16/h16H,4-12H2,1-3H3

 
本文导航:
  • (1) ZINC01377221,ASN 05020134, cyclohexyl-[4-(2,5,6-trimethylthieno[3,,2-e
  • 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