当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_864317,ASN 03367474, 1-[(4-fluorophenyl)methyl]-1-[(7-oxo-3,6-d

Oprea1_864317,ASN 03367474, 1-[(4-fluorophenyl)methyl]-1-[(7-oxo-3,6-d

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:3
摘 要:Oprea1_864317,ASN 03367474, 1-[(4-fluorophenyl)methyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,,3-g]quinolin-8-yl)methyl]-3-phenylurea,Canonical SMILES: C1COC2=C(O1)C=C3C=C(C(=O)NC3=C2)CN(CC4=CC=C(C=C4)F)C(=O)NC5=CC=CC=C5,InChI: InChI=1/C26H22FN3O4/c
[Synonyms]
Oprea1_864317
ASN 03367474

[Structure]
Oprea1_864317,ASN 03367474, 1-[(4-fluorophenyl)methyl]-1-[(7-oxo-3,6-d

[ Properties Computed from Structure]
Molecular Weight459.468983 [g/mol]
Molecular FormulaC26H22FN3O4
XLogP3.4
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count4
Exact Mass459.159434
MonoIsotopic Mass459.159434
Topological Polar Surface Area79.9
Heavy Atom Count34
Formal Charge0
Complexity763
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-[(4-fluorophenyl)methyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,
3-g]quinolin-8-yl)methyl]-3-phenylurea
Canonical SMILES: C1COC2=C(O1)C=C3C=C(C(=O)NC3=C2)CN(CC4=CC=C(C=C4)F)C(=O)NC5=CC=CC=C5
InChI: InChI=1/C26H22FN3O4/c27-20-8-6-17(7-9-20)15-30(26(32)28-21-4-2-1-3-5-21)
16-19-12-18-13-23-24(34-11-10-33-23)14-22(18)29-25(19)31/h1-9,12-14H,
10-11,15-16H2,(H,28,32)(H,29,31)/f/h28-29H

 
本文导航:
  • (1) Oprea1_864317,ASN 03367474, 1-[(4-fluorophenyl)methyl]-1-[(7-oxo-3,6-d
  • 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