当前位置: 首页 » 资料 » 化学物质数据库 » 2-[[5-(2-hydroxyphenyl)-4-(2-methoxyphenyl)-1,2,,4-triazol-3-yl]sulfa

2-[[5-(2-hydroxyphenyl)-4-(2-methoxyphenyl)-1,2,,4-triazol-3-yl]sulfa

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:1
摘 要: 2-[[5-(2-hydroxyphenyl)-4-(2-methoxyphenyl)-1,2,,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one,Canonical SMILES: COC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5O,InChI: InChI=1/C24H19N5O3S/c1-32-20-13-7-5-11-18(20)29-22(16-9-3-6-12-
[Synonyms]

[Structure]
 2-[[5-(2-hydroxyphenyl)-4-(2-methoxyphenyl)-1,2,,4-triazol-3-yl]sulfa

[ Properties Computed from Structure]
Molecular Weight457.50436 [g/mol]
Molecular FormulaC24H19N5O3S
XLogP5.5
H-Bond Donor2
H-Bond Acceptor7
Rotatable Bond Count6
Tautomer Count12
Exact Mass457.12086
MonoIsotopic Mass457.12086
Topological Polar Surface Area102
Heavy Atom Count33
Formal Charge0
Complexity724
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-(2-hydroxyphenyl)-4-(2-methoxyphenyl)-1,2,
4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one
Canonical SMILES: COC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5O
InChI: InChI=1/C24H19N5O3S/c1-32-20-13-7-5-11-18(20)29-22(16-9-3-6-12-19(16)30)
27-28-24(29)33-14-21-25-17-10-4-2-8-15(17)23(31)26-21/h2-13,30H,14H2,
1H3,(H,25,26,31)/f/h25H

 
本文导航:
  • (1) 2-[[5-(2-hydroxyphenyl)-4-(2-methoxyphenyl)-1,2,,4-triazol-3-yl]sulfa
  • 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