当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_366573,Oprea1_762813,ZINC00929720,ASN 04393121, N-(3-hydroxyphe

Oprea1_366573,Oprea1_762813,ZINC00929720,ASN 04393121, N-(3-hydroxyphe

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:7
摘 要:Oprea1_366573,Oprea1_762813,ZINC00929720,ASN 04393121, N-(3-hydroxyphenyl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,,5-a]quinolin-1-yl)sulfanyl]acetamide,Canonical SMILES: CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)NC4=CC(=CC=C4)O)C,InChI: InChI=1/C21H20N4O
[Synonyms]
Oprea1_366573
Oprea1_762813
ZINC00929720
ASN 04393121

[Structure]
Oprea1_366573,Oprea1_762813,ZINC00929720,ASN 04393121, N-(3-hydroxyphe

[ Properties Computed from Structure]
Molecular Weight392.4741 [g/mol]
Molecular FormulaC21H20N4O2S
XLogP3.7
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count4
Tautomer Count13
Exact Mass392.130697
MonoIsotopic Mass392.130697
Topological Polar Surface Area79.5
Heavy Atom Count28
Formal Charge0
Complexity565
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: N-(3-hydroxyphenyl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,
5-a]quinolin-1-yl)sulfanyl]acetamide
Canonical SMILES: CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)NC4=CC(=CC=C4)O)C
InChI: InChI=1/C21H20N4O2S/c1-12-7-8-13(2)19-17(12)9-14(3)20-23-24-21(25(19)20)
28-11-18(27)22-15-5-4-6-16(26)10-15/h4-10,26H,11H2,1-3H3,(H,22,
27)/f/h22H

 
本文导航:
  • (1) Oprea1_366573,Oprea1_762813,ZINC00929720,ASN 04393121, N-(3-hydroxyphe
  • 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