当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_691888,ZINC00880394,ASN 03367463, 1-[(4-fluorophenyl)methyl]-1-

Oprea1_691888,ZINC00880394,ASN 03367463, 1-[(4-fluorophenyl)methyl]-1-

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:9
摘 要:Oprea1_691888,ZINC00880394,ASN 03367463, 1-[(4-fluorophenyl)methyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-,3-phenylurea,Canonical SMILES: CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4,InChI: InChI=1/C25H22FN3O2/c1-17-6-5-7-19-14
[Synonyms]
Oprea1_691888
ZINC00880394
ASN 03367463

[Structure]
Oprea1_691888,ZINC00880394,ASN 03367463, 1-[(4-fluorophenyl)methyl]-1-

[ Properties Computed from Structure]
Molecular Weight415.459483 [g/mol]
Molecular FormulaC25H22FN3O2
XLogP4
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count4
Exact Mass415.169605
MonoIsotopic Mass415.169605
Topological Polar Surface Area61.4
Heavy Atom Count31
Formal Charge0
Complexity668
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-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-
3-phenylurea
Canonical SMILES: CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4
InChI: InChI=1/C25H22FN3O2/c1-17-6-5-7-19-14-20(24(30)28-23(17)19)16-29(15-18-
10-12-21(26)13-11-18)25(31)27-22-8-3-2-4-9-22/h2-14H,15-16H2,1H3,(H,27,
31)(H,28,30)/f/h27-28H

 
本文导航:
  • (1) Oprea1_691888,ZINC00880394,ASN 03367463, 1-[(4-fluorophenyl)methyl]-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