当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00531909,ST5422875, 3-(3-methoxyphenyl)-6-phenyl-7H-[1,2,4]triazol

ZINC00531909,ST5422875, 3-(3-methoxyphenyl)-6-phenyl-7H-[1,2,4]triazol

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:4
摘 要:ZINC00531909,ST5422875, 3-(3-methoxyphenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine,Canonical SMILES: COC1=CC=CC(=C1)C2=NN=C3N2N=C(CS3)C4=CC=CC=C4,InChI: InChI=1/C17H14N4OS/c1-22-14-9-5-8-13(10-14)16-18-19-17-21(16)20-15(11-,23-17)12-6-3
[Synonyms]
ZINC00531909
ST5422875

[Structure]
ZINC00531909,ST5422875, 3-(3-methoxyphenyl)-6-phenyl-7H-[1,2,4]triazol

[ Properties Computed from Structure]
Molecular Weight322.38426 [g/mol]
Molecular FormulaC17H14N4OS
XLogP4.3
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count3
Tautomer Count2
Exact Mass322.088832
MonoIsotopic Mass322.088832
Topological Polar Surface Area52.3
Heavy Atom Count23
Formal Charge0
Complexity440
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: 3-(3-methoxyphenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Canonical SMILES: COC1=CC=CC(=C1)C2=NN=C3N2N=C(CS3)C4=CC=CC=C4
InChI: InChI=1/C17H14N4OS/c1-22-14-9-5-8-13(10-14)16-18-19-17-21(16)20-15(11-
23-17)12-6-3-2-4-7-12/h2-10H,11H2,1H3

 
本文导航:
  • (1) ZINC00531909,ST5422875, 3-(3-methoxyphenyl)-6-phenyl-7H-[1,2,4]triazol
  • 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