当前位置: 首页 » 资料 » 化学物质数据库 » ASN 03366984 1-cyclopentyl-3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxo-1H-q

ASN 03366984 1-cyclopentyl-3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxo-1H-q

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:4
摘 要:ASN 03366984 1-cyclopentyl-3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl),methyl]thiourea,Canonical SMILES: CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C(C=C3)OC)NC2=O)C4CCCC4,InChI: InChI=1/C25H29N3O3S/c1-3-31-21-12-9-19(10-13-21)26-25(32)28(20-6-
[Synonyms]
ASN 03366984
[Structure]
ASN 03366984 1-cyclopentyl-3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxo-1H-q

[ Properties Computed from Structure]
Molecular Weight451.58106 [g/mol]
Molecular FormulaC25H29N3O3S
XLogP3.7
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count7
Tautomer Count4
Exact Mass451.192963
MonoIsotopic Mass451.192963
Topological Polar Surface Area62.8
Heavy Atom Count32
Formal Charge0
Complexity686
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: 1-cyclopentyl-3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)
methyl]thiourea
Canonical SMILES: CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C(C=C3)OC)NC2=O)C4CCCC4
InChI: InChI=1/C25H29N3O3S/c1-3-31-21-12-9-19(10-13-21)26-25(32)28(20-6-4-5-7-
20)16-18-14-17-8-11-22(30-2)15-23(17)27-24(18)29/h8-15,20H,3-7,16H2,
1-2H3,(H,26,32)(H,27,29)/f/h26-27H

 
本文导航:
  • (1) ASN 03366984 1-cyclopentyl-3-(4-ethoxyphenyl)-1-[(7-methoxy-2-oxo-1H-q
  • 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