当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_022838,ZINC00919627,ASN 04196998, ethyl,3-[2-hydroxyethyl-[(7-o

Oprea1_022838,ZINC00919627,ASN 04196998, ethyl,3-[2-hydroxyethyl-[(7-o

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要:Oprea1_022838,ZINC00919627,ASN 04196998, ethyl,3-[2-hydroxyethyl-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,,3-g]quinolin-8-yl)methyl]sulfamoyl]benzoate,Canonical SMILES: CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CCO)CC2=CC3=CC4=C(C=C3NC2=O)OCCO4,InChI: InChI=1/C23
[Synonyms]
Oprea1_022838
ZINC00919627
ASN 04196998

[Structure]
Oprea1_022838,ZINC00919627,ASN 04196998, ethyl,3-[2-hydroxyethyl-[(7-o

[ Properties Computed from Structure]
Molecular Weight488.51026 [g/mol]
Molecular FormulaC23H24N2O8S
XLogP1.2
H-Bond Donor2
H-Bond Acceptor9
Rotatable Bond Count9
Tautomer Count2
Exact Mass488.125336
MonoIsotopic Mass488.125336
Topological Polar Surface Area132
Heavy Atom Count34
Formal Charge0
Complexity886
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: ethyl
3-[2-hydroxyethyl-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,
3-g]quinolin-8-yl)methyl]sulfamoyl]benzoate
Canonical SMILES: CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CCO)CC2=CC3=CC4=C(C=C3NC2=O)OCCO4
InChI: InChI=1/C23H24N2O8S/c1-2-31-23(28)15-4-3-5-18(11-15)34(29,
30)25(6-7-26)14-17-10-16-12-20-21(33-9-8-32-20)13-19(16)24-22(17)27/h3-
5,10-13,26H,2,6-9,14H2,1H3,(H,24,27)/f/h24H

 
本文导航:
  • (1) Oprea1_022838,ZINC00919627,ASN 04196998, ethyl,3-[2-hydroxyethyl-[(7-o
  • 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