当前位置: 首页 » 资料 » 化学物质数据库 » ZINC03346252,T0520-8717, 2-[[5-[(2-chlorophenoxy)methyl]-1,3,,4-oxadia

ZINC03346252,T0520-8717, 2-[[5-[(2-chlorophenoxy)methyl]-1,3,,4-oxadia

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:1
摘 要:ZINC03346252,T0520-8717, 2-[[5-[(2-chlorophenoxy)methyl]-1,3,,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide,Canonical SMILES: CC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)COC3=CC=CC=C3Cl,InChI: InChI=1/C18H16ClN3O3S/c1-12-6-2-4-8-14(12)20-16(23)11-26-18-2
[Synonyms]
ZINC03346252
T0520-8717

[Structure]
ZINC03346252,T0520-8717, 2-[[5-[(2-chlorophenoxy)methyl]-1,3,,4-oxadia

[ Properties Computed from Structure]
Molecular Weight389.85594 [g/mol]
Molecular FormulaC18H16ClN3O3S
XLogP4.6
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count7
Tautomer Count2
Exact Mass389.06009
MonoIsotopic Mass389.06009
Topological Polar Surface Area77.3
Heavy Atom Count26
Formal Charge0
Complexity459
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-[(2-chlorophenoxy)methyl]-1,3,
4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Canonical SMILES: CC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)COC3=CC=CC=C3Cl
InChI: InChI=1/C18H16ClN3O3S/c1-12-6-2-4-8-14(12)20-16(23)11-26-18-22-21-17(25-
18)10-24-15-9-5-3-7-13(15)19/h2-9H,10-11H2,1H3,(H,20,23)/f/h20H

 
本文导航:
  • (1) ZINC03346252,T0520-8717, 2-[[5-[(2-chlorophenoxy)methyl]-1,3,,4-oxadia
  • 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