当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_514656,ZINC00882850,BAS 02833098, cyclohexyl 2-(1-phenylpyrazol

Oprea1_514656,ZINC00882850,BAS 02833098, cyclohexyl 2-(1-phenylpyrazol

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要:Oprea1_514656,ZINC00882850,BAS 02833098, cyclohexyl 2-(1-phenylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetate,Canonical SMILES: C1CCC(CC1)OC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4,InChI: InChI=1/C19H20N4O2S/c24-17(25-15-9-5-2-6-10-15)12-26-19-16-11-22-23(1
[Synonyms]
Oprea1_514656
ZINC00882850
BAS 02833098

[Structure]
Oprea1_514656,ZINC00882850,BAS 02833098, cyclohexyl 2-(1-phenylpyrazol

[ Properties Computed from Structure]
Molecular Weight368.4527 [g/mol]
Molecular FormulaC19H20N4O2S
XLogP4.1
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count6
Exact Mass368.130697
MonoIsotopic Mass368.130697
Topological Polar Surface Area69.9
Heavy Atom Count26
Formal Charge0
Complexity469
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: cyclohexyl 2-(1-phenylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetate
Canonical SMILES: C1CCC(CC1)OC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4
InChI: InChI=1/C19H20N4O2S/c24-17(25-15-9-5-2-6-10-15)12-26-19-16-11-22-23(18
(16)20-13-21-19)14-7-3-1-4-8-14/h1,3-4,7-8,11,13,15H,2,5-6,9-10,12H2

 
本文导航:
  • (1) Oprea1_514656,ZINC00882850,BAS 02833098, cyclohexyl 2-(1-phenylpyrazol
  • 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