当前位置: 首页 » 资料 » 化学物质数据库 » ASN 03366660 1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-

ASN 03366660 1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:12
摘 要:ASN 03366660 1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-,fluorophenyl)thiourea,Canonical SMILES: CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NC4=CC=C(C=C4)F,InChI: InChI=1/C25H28FN3O2S/c1-2-31-22-12-13-23-17(15-22)14-18(24(30)28-
[Synonyms]
ASN 03366660
[Structure]
ASN 03366660 1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-

[ Properties Computed from Structure]
Molecular Weight453.572123 [g/mol]
Molecular FormulaC25H28FN3O2S
XLogP4.5
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count6
Tautomer Count4
Exact Mass453.188626
MonoIsotopic Mass453.188626
Topological Polar Surface Area53.6
Heavy Atom Count32
Formal Charge0
Complexity689
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-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-
fluorophenyl)thiourea
Canonical SMILES: CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NC4=CC=C(C=C4)F
InChI: InChI=1/C25H28FN3O2S/c1-2-31-22-12-13-23-17(15-22)14-18(24(30)28-23)16-
29(21-6-4-3-5-7-21)25(32)27-20-10-8-19(26)9-11-20/h8-15,21H,2-7,16H2,
1H3,(H,27,32)(H,28,30)/f/h27-28H

 
本文导航:
  • (1) ASN 03366660 1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-
  • 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