当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00921187 ethyl,3-[(2S)-1-ethoxy-1-oxobutan-2-yl]-5-methyl-4-oxothi

ZINC00921187 ethyl,3-[(2S)-1-ethoxy-1-oxobutan-2-yl]-5-methyl-4-oxothi

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:5
摘 要:ZINC00921187 ethyl,3-[(2S)-1-ethoxy-1-oxobutan-2-yl]-5-methyl-4-oxothieno[5,,4-d]pyrimidine-6-carboxylate,Canonical SMILES: CCC(C(=O)OCC)N1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC)C,Isomeric SMILES: CC[C@@H](C(=O)OCC)N1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC)C,InChI: InC
[Synonyms]
ZINC00921187
[Structure]
ZINC00921187 ethyl,3-[(2S)-1-ethoxy-1-oxobutan-2-yl]-5-methyl-4-oxothi

[ Properties Computed from Structure]
Molecular Weight352.4054 [g/mol]
Molecular FormulaC16H20N2O5S
XLogP1.3
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count8
Exact Mass352.109292
MonoIsotopic Mass352.109292
Topological Polar Surface Area85.3
Heavy Atom Count24
Formal Charge0
Complexity539
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
3-[(2S)-1-ethoxy-1-oxobutan-2-yl]-5-methyl-4-oxothieno[5,
4-d]pyrimidine-6-carboxylate
Canonical SMILES: CCC(C(=O)OCC)N1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC)C
Isomeric SMILES: CC[C@@H](C(=O)OCC)N1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC)C
InChI: InChI=1/C16H20N2O5S/c1-5-10(15(20)22-6-2)18-8-17-13-11(14(18)19)9(4)12
(24-13)16(21)23-7-3/h8,10H,5-7H2,1-4H3/t10-/m0/s1

 
本文导航:
  • (1) ZINC00921187 ethyl,3-[(2S)-1-ethoxy-1-oxobutan-2-yl]-5-methyl-4-oxothi
  • 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