当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00882458,ASN 03575339, 2-[5-(4-fluorophenyl)thieno[3,,2-e]pyrimidi

ZINC00882458,ASN 03575339, 2-[5-(4-fluorophenyl)thieno[3,,2-e]pyrimidi

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:7
摘 要:ZINC00882458,ASN 03575339, 2-[5-(4-fluorophenyl)thieno[3,,2-e]pyrimidin-4-yl]sulfanyl-1-(3-methoxyphenyl)ethanone,Canonical SMILES: COC1=CC=CC(=C1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)F,InChI: InChI=1/C21H15FN2O2S2/c1-26-16-4-2-3-14(9-16)18(25)11-2
[Synonyms]
ZINC00882458
ASN 03575339

[Structure]
ZINC00882458,ASN 03575339, 2-[5-(4-fluorophenyl)thieno[3,,2-e]pyrimidi

[ Properties Computed from Structure]
Molecular Weight410.484403 [g/mol]
Molecular FormulaC21H15FN2O2S2
XLogP4.4
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count2
Exact Mass410.055897
MonoIsotopic Mass410.055897
Topological Polar Surface Area52.1
Heavy Atom Count28
Formal Charge0
Complexity533
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-(4-fluorophenyl)thieno[3,
2-e]pyrimidin-4-yl]sulfanyl-1-(3-methoxyphenyl)ethanone
Canonical SMILES: COC1=CC=CC(=C1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)F
InChI: InChI=1/C21H15FN2O2S2/c1-26-16-4-2-3-14(9-16)18(25)11-28-21-19-17(10-27-
20(19)23-12-24-21)13-5-7-15(22)8-6-13/h2-10,12H,11H2,1H3

 
本文导航:
  • (1) ZINC00882458,ASN 03575339, 2-[5-(4-fluorophenyl)thieno[3,,2-e]pyrimidi
  • 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