当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00937517,T5891488, 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-met

ZINC00937517,T5891488, 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-met

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:5
摘 要:ZINC00937517,T5891488, 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methylphenyl)-[1,,3]thiazolo[3,2-d][1,2,4]triazole,Canonical SMILES: CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC4=CC5=C(C=C4)OCO5,InChI: InChI=1/C19H15N3O2S2/c1-12-2-5-14(6-3-12)15-10-26-19-21
[Synonyms]
ZINC00937517
T5891488

[Structure]
ZINC00937517,T5891488, 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-met

[ Properties Computed from Structure]
Molecular Weight381.4713 [g/mol]
Molecular FormulaC19H15N3O2S2
XLogP6.4
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count4
Exact Mass381.060568
MonoIsotopic Mass381.060568
Topological Polar Surface Area48.7
Heavy Atom Count26
Formal Charge0
Complexity491
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-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-methylphenyl)-[1,
3]thiazolo[3,2-d][1,2,4]triazole
Canonical SMILES: CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC4=CC5=C(C=C4)OCO5
InChI: InChI=1/C19H15N3O2S2/c1-12-2-5-14(6-3-12)15-10-26-19-21-20-18(22(15)19)
25-9-13-4-7-16-17(8-13)24-11-23-16/h2-8,10H,9,11H2,1H3

 
本文导航:
  • (1) ZINC00937517,T5891488, 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(4-met
  • 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