当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00932354,ASN 04455666, 2-[1-(3,,4-dimethoxyphenyl)tetrazol-5-yl]su

ZINC00932354,ASN 04455666, 2-[1-(3,,4-dimethoxyphenyl)tetrazol-5-yl]su

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:3
摘 要:ZINC00932354,ASN 04455666, 2-[1-(3,,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2-fluorophenyl)ethanone,Canonical SMILES: COC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC=CC=C3F)OC,InChI: InChI=1/C17H15FN4O3S/c1-24-15-8-7-11(9-16(15)25-2)22-17(19-20-21-22)26-
[Synonyms]
ZINC00932354
ASN 04455666

[Structure]
ZINC00932354,ASN 04455666, 2-[1-(3,,4-dimethoxyphenyl)tetrazol-5-yl]su

[ Properties Computed from Structure]
Molecular Weight374.389403 [g/mol]
Molecular FormulaC17H15FN4O3S
XLogP2.1
H-Bond Donor0
H-Bond Acceptor8
Rotatable Bond Count7
Tautomer Count2
Exact Mass374.084889
MonoIsotopic Mass374.084889
Topological Polar Surface Area79.1
Heavy Atom Count26
Formal Charge0
Complexity475
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-[1-(3,
4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(2-fluorophenyl)ethanone
Canonical SMILES: COC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC=CC=C3F)OC
InChI: InChI=1/C17H15FN4O3S/c1-24-15-8-7-11(9-16(15)25-2)22-17(19-20-21-22)26-
10-14(23)12-5-3-4-6-13(12)18/h3-9H,10H2,1-2H3

 
本文导航:
  • (1) ZINC00932354,ASN 04455666, 2-[1-(3,,4-dimethoxyphenyl)tetrazol-5-yl]su
  • 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