当前位置: 首页 » 资料 » 化学物质数据库 » ChemDiv1_011039,AG-205/10184009,A1466/0064654,1-(3-Methoxybenzoyl)-5-(

ChemDiv1_011039,AG-205/10184009,A1466/0064654,1-(3-Methoxybenzoyl)-5-(

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:7
摘 要:ChemDiv1_011039,AG-205/10184009,A1466/0064654,1-(3-Methoxybenzoyl)-5-(3-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol,[5-Hydroxy-5-(3-methoxyphenyl)-3-trifluoromethyl-4,5-dihydropyrazol-1-yl]-(3-methoxyphenyl)methanone, [5-hydroxy-5-
[Synonyms]
ChemDiv1_011039
AG-205/10184009
A1466/0064654
1-(3-Methoxybenzoyl)-5-(3-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
[5-Hydroxy-5-(3-methoxyphenyl)-3-trifluoromethyl-4,5-dihydropyrazol-1-yl]-(3-methoxyphenyl)methanone

[Structure]
ChemDiv1_011039,AG-205/10184009,A1466/0064654,1-(3-Methoxybenzoyl)-5-(

[ Properties Computed from Structure]
Molecular Weight394.34449 [g/mol]
Molecular FormulaC19H17F3N2O4
XLogP3.9
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count4
Exact Mass394.114042
MonoIsotopic Mass394.114042
Topological Polar Surface Area71.4
Heavy Atom Count28
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [5-hydroxy-5-(3-methoxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-
methoxyphenyl)methanone
Canonical SMILES: COC1=CC=CC(=C1)C(=O)N2C(CC(=N2)C(F)(F)F)(C3=CC(=CC=C3)OC)O
InChI: InChI=1/C19H17F3N2O4/c1-27-14-7-3-5-12(9-14)17(25)24-18(26,
11-16(23-24)19(20,21)22)13-6-4-8-15(10-13)28-2/h3-10,26H,11H2,1-2H3

 
本文导航:
  • (1) ChemDiv1_011039,AG-205/10184009,A1466/0064654,1-(3-Methoxybenzoyl)-5-(
  • 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