当前位置: 首页 » 资料 » 化学物质数据库 » ethyl,2-[[2-[(2S)-3-oxopiperazin-2-yl]acetyl]amino]-4,5,6,,7-tetrahyd

ethyl,2-[[2-[(2S)-3-oxopiperazin-2-yl]acetyl]amino]-4,5,6,,7-tetrahyd

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:1
摘 要: ethyl,2-[[2-[(2S)-3-oxopiperazin-2-yl]acetyl]amino]-4,5,6,,7-tetrahydro-1-benzothiophene-3-carboxylate,Canonical SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NCCN3,Isomeric SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[C@H]3C(=O)NCCN3,InChI: InChI=1/C1
[Synonyms]

[Structure]
 ethyl,2-[[2-[(2S)-3-oxopiperazin-2-yl]acetyl]amino]-4,5,6,,7-tetrahyd

[ Properties Computed from Structure]
Molecular Weight365.44722 [g/mol]
Molecular FormulaC17H23N3O4S
XLogP0.3
H-Bond Donor3
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count8
Exact Mass365.140927
MonoIsotopic Mass365.140927
Topological Polar Surface Area96.5
Heavy Atom Count25
Formal Charge0
Complexity530
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: ethyl
2-[[2-[(2S)-3-oxopiperazin-2-yl]acetyl]amino]-4,5,6,
7-tetrahydro-1-benzothiophene-3-carboxylate
Canonical SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NCCN3
Isomeric SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[C@H]3C(=O)NCCN3
InChI: InChI=1/C17H23N3O4S/c1-2-24-17(23)14-10-5-3-4-6-12(10)25-16(14)20-13(21)
9-11-15(22)19-8-7-18-11/h11,18H,2-9H2,1H3,(H,19,22)(H,20,
21)/t11-/m0/s1/f/h19-20H

 
本文导航:
  • (1) ethyl,2-[[2-[(2S)-3-oxopiperazin-2-yl]acetyl]amino]-4,5,6,,7-tetrahyd
  • 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