当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_269269,ZINC00882417,BAS 03575128, 2-[[5-(3,4-dimethoxyphenyl)-1

Oprea1_269269,ZINC00882417,BAS 03575128, 2-[[5-(3,4-dimethoxyphenyl)-1

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要:Oprea1_269269,ZINC00882417,BAS 03575128, 2-[[5-(3,4-dimethoxyphenyl)-1,3,,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide,Canonical SMILES: COC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)NCCC3=CC=CC=C3)OC,InChI: InChI=1/C20H21N3O4S/c1-25-16-9-8-15(12-17(16)
[Synonyms]
Oprea1_269269
ZINC00882417
BAS 03575128

[Structure]
Oprea1_269269,ZINC00882417,BAS 03575128, 2-[[5-(3,4-dimethoxyphenyl)-1

[ Properties Computed from Structure]
Molecular Weight399.46344 [g/mol]
Molecular FormulaC20H21N3O4S
XLogP4
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count9
Tautomer Count2
Exact Mass399.125277
MonoIsotopic Mass399.125277
Topological Polar Surface Area86.5
Heavy Atom Count28
Formal Charge0
Complexity478
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: 2-[[5-(3,4-dimethoxyphenyl)-1,3,
4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
Canonical SMILES: COC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)NCCC3=CC=CC=C3)OC
InChI: InChI=1/C20H21N3O4S/c1-25-16-9-8-15(12-17(16)26-2)19-22-23-20(27-19)28-
13-18(24)21-11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,21,
24)/f/h21H

 
本文导航:
  • (1) Oprea1_269269,ZINC00882417,BAS 03575128, 2-[[5-(3,4-dimethoxyphenyl)-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