当前位置: 首页 » 资料 » 化学物质数据库 » (5S,7R)-N-(2,3-dimethylphenyl)-5-furan-2-yl-7-(trifluoromethyl)-4,5,6

(5S,7R)-N-(2,3-dimethylphenyl)-5-furan-2-yl-7-(trifluoromethyl)-4,5,6

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:1
摘 要: (5S,7R)-N-(2,3-dimethylphenyl)-5-furan-2-yl-7-(trifluoromethyl)-4,5,6,,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide,Canonical SMILES: CC1=C(C(=CC=C1)NC(=O)C2=NN3C(CC(NC3=C2)C4=CC=CO4)C(F)(F)F)C,Isomeric SMILES: CC1=C(C(=CC=C1)NC(=O)C2=NN3[C@H
[Synonyms]

[Structure]
 (5S,7R)-N-(2,3-dimethylphenyl)-5-furan-2-yl-7-(trifluoromethyl)-4,5,6

[ Properties Computed from Structure]
Molecular Weight404.38567 [g/mol]
Molecular FormulaC20H19F3N4O2
XLogP3.7
H-Bond Donor2
H-Bond Acceptor8
Rotatable Bond Count3
Tautomer Count6
Exact Mass404.14601
MonoIsotopic Mass404.14601
Topological Polar Surface Area72.1
Heavy Atom Count29
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (5S,7R)-N-(2,3-dimethylphenyl)-5-furan-2-yl-7-(trifluoromethyl)-4,5,6,
7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Canonical SMILES: CC1=C(C(=CC=C1)NC(=O)C2=NN3C(CC(NC3=C2)C4=CC=CO4)C(F)(F)F)C
Isomeric SMILES: CC1=C(C(=CC=C1)NC(=O)C2=NN3[C@H](C[C@H](NC3=C2)C4=CC=CO4)C(F)(F)F)C
InChI: InChI=1/C20H19F3N4O2/c1-11-5-3-6-13(12(11)2)25-19(28)15-10-18-24-14(16-
7-4-8-29-16)9-17(20(21,22)23)27(18)26-15/h3-8,10,14,17,24H,9H2,1-2H3,(H,
25,28)/t14-,17+/m0/s1/f/h25H

 
本文导航:
  • (1) (5S,7R)-N-(2,3-dimethylphenyl)-5-furan-2-yl-7-(trifluoromethyl)-4,5,6
  • 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