当前位置: 首页 » 资料 » 化学物质数据库 » ASN 03367053 3-(4-ethoxyphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)m

ASN 03367053 3-(4-ethoxyphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)m

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:1
摘 要:ASN 03367053 3-(4-ethoxyphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-,(phenylmethyl)thiourea,Canonical SMILES: CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=CC(=C4)OC)NC3=O,InChI: InChI=1/C27H27N3O3S/c1-3-33-23-11-9-22(10-12-23)28-27(34)
[Synonyms]
ASN 03367053
[Structure]
ASN 03367053 3-(4-ethoxyphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)m

[ Properties Computed from Structure]
Molecular Weight473.58658 [g/mol]
Molecular FormulaC27H27N3O3S
XLogP4.1
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count8
Tautomer Count4
Exact Mass473.177312
MonoIsotopic Mass473.177312
Topological Polar Surface Area62.8
Heavy Atom Count34
Formal Charge0
Complexity716
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-(4-ethoxyphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-
(phenylmethyl)thiourea
Canonical SMILES: CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=CC(=C4)OC)NC3=O
InChI: InChI=1/C27H27N3O3S/c1-3-33-23-11-9-22(10-12-23)28-27(34)30(17-19-7-5-4-
6-8-19)18-21-15-20-16-24(32-2)13-14-25(20)29-26(21)31/h4-16H,3,17-18H2,
1-2H3,(H,28,34)(H,29,31)/f/h28-29H

 
本文导航:
  • (1) ASN 03367053 3-(4-ethoxyphenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)m
  • 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