当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00918353 methyl,2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)

ZINC00918353 methyl,2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:1
摘 要:ZINC00918353 methyl,2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl],sulfamoyl]benzoate,Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)S(=O)(=O)C4=CC=CC=C4C(=O)OC,Isomeric SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C[C@H]
[Synonyms]
ZINC00918353
[Structure]
ZINC00918353 methyl,2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)

[ Properties Computed from Structure]
Molecular Weight486.53744 [g/mol]
Molecular FormulaC24H26N2O7S
XLogP2.2
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count9
Tautomer Count2
Exact Mass486.146072
MonoIsotopic Mass486.146072
Topological Polar Surface Area111
Heavy Atom Count34
Formal Charge0
Complexity884
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: methyl
2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]
sulfamoyl]benzoate
Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)S(=O)(=O)C4=CC=CC=C4C(=O)OC
Isomeric SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C[C@H]3CCCO3)S(=O)(=O)C4=CC=CC=C4C(=O)OC
InChI: InChI=1/C24H26N2O7S/c1-31-18-9-10-21-16(13-18)12-17(23(27)25-21)14-26
(15-19-6-5-11-33-19)34(29,30)22-8-4-3-7-20(22)24(28)32-2/h3-4,7-10,
12-13,19H,5-6,11,14-15H2,1-2H3,(H,25,27)/t19-/m1/s1/f/h25H

 
本文导航:
  • (1) ZINC00918353 methyl,2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)
  • 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