当前位置: 首页 » 资料 » 化学物质数据库 » MLS000052741,ZINC00937203,SMR000082518,3-{[2-(3,4-dihydro-1(2H)-quinol

MLS000052741,ZINC00937203,SMR000082518,3-{[2-(3,4-dihydro-1(2H)-quinol

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:4
摘 要:MLS000052741,ZINC00937203,SMR000082518,3-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-5-phenyl-4H-1,2,4-triazol-4-amine, 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,,4-dihydro-2H-quinolin-1-yl)ethanone,Canonical SMILES: C1CC2=CC=CC=
[Synonyms]
MLS000052741
ZINC00937203
SMR000082518
3-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio}-5-phenyl-4H-1,2,4-triazol-4-amine

[Structure]
MLS000052741,ZINC00937203,SMR000082518,3-{[2-(3,4-dihydro-1(2H)-quinol

[ Properties Computed from Structure]
Molecular Weight365.45206 [g/mol]
Molecular FormulaC19H19N5OS
XLogP2.9
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count4
Exact Mass365.131031
MonoIsotopic Mass365.131031
Topological Polar Surface Area77
Heavy Atom Count26
Formal Charge0
Complexity487
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-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,
4-dihydro-2H-quinolin-1-yl)ethanone
Canonical SMILES: C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(N3N)C4=CC=CC=C4
InChI: InChI=1/C19H19N5OS/c20-24-18(15-8-2-1-3-9-15)21-22-19(24)26-13-17(25)23-
12-6-10-14-7-4-5-11-16(14)23/h1-5,7-9,11H,6,10,12-13,20H2

 
本文导航:
  • (1) MLS000052741,ZINC00937203,SMR000082518,3-{[2-(3,4-dihydro-1(2H)-quinol
  • 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