当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_245128,ASN 04370479, 3-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1

Oprea1_245128,ASN 04370479, 3-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:1
摘 要:Oprea1_245128,ASN 04370479, 3-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-,methoxyphenyl)methyl]thiourea,Canonical SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3OC)C(=S)NCC4=CC=CO4,InChI: InChI=1/C25H25N3O4S/c1-30-20-10
[Synonyms]
Oprea1_245128
ASN 04370479

[Structure]
Oprea1_245128,ASN 04370479, 3-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1

[ Properties Computed from Structure]
Molecular Weight463.5487 [g/mol]
Molecular FormulaC25H25N3O4S
XLogP2.5
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count8
Tautomer Count4
Exact Mass463.156577
MonoIsotopic Mass463.156577
Topological Polar Surface Area76
Heavy Atom Count33
Formal Charge0
Complexity718
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-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-
methoxyphenyl)methyl]thiourea
Canonical SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3OC)C(=S)NCC4=CC=CO4
InChI: InChI=1/C25H25N3O4S/c1-30-20-10-9-17-12-19(24(29)27-22(17)13-20)16-28
(15-18-6-3-4-8-23(18)31-2)25(33)26-14-21-7-5-11-32-21/h3-13H,14-16H2,
1-2H3,(H,26,33)(H,27,29)/f/h26-27H

 
本文导航:
  • (1) Oprea1_245128,ASN 04370479, 3-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1
  • 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