当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_075413,Oprea1_153007, 1-(2,3-dihydro-1,,4-benzodioxin-7-yl)-2-[

Oprea1_075413,Oprea1_153007, 1-(2,3-dihydro-1,,4-benzodioxin-7-yl)-2-[

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:1
摘 要:Oprea1_075413,Oprea1_153007, 1-(2,3-dihydro-1,,4-benzodioxin-7-yl)-2-[5-(4-dimethylaminophenyl)tetrazol-2-yl]ethanone,Canonical SMILES: CN(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C3=CC4=C(C=C3)OCCO4,InChI: InChI=1/C19H19N5O3/c1-23(2)15-6-3-13(4-7-15)19-20-22
[Synonyms]
Oprea1_075413
Oprea1_153007

[Structure]
Oprea1_075413,Oprea1_153007, 1-(2,3-dihydro-1,,4-benzodioxin-7-yl)-2-[

[ Properties Computed from Structure]
Molecular Weight365.38586 [g/mol]
Molecular FormulaC19H19N5O3
XLogP3.4
H-Bond Donor0
H-Bond Acceptor8
Rotatable Bond Count5
Tautomer Count2
Exact Mass365.14879
MonoIsotopic Mass365.14879
Topological Polar Surface Area82.4
Heavy Atom Count27
Formal Charge0
Complexity512
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: 1-(2,3-dihydro-1,
4-benzodioxin-7-yl)-2-[5-(4-dimethylaminophenyl)tetrazol-2-yl]ethanone
Canonical SMILES: CN(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C3=CC4=C(C=C3)OCCO4
InChI: InChI=1/C19H19N5O3/c1-23(2)15-6-3-13(4-7-15)19-20-22-24(21-19)12-16(25)
14-5-8-17-18(11-14)27-10-9-26-17/h3-8,11H,9-10,12H2,1-2H3

 
本文导航:
  • (1) Oprea1_075413,Oprea1_153007, 1-(2,3-dihydro-1,,4-benzodioxin-7-yl)-2-[
  • 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