当前位置: 首页 » 资料 » 化学物质数据库 » TimTec1_007181,Oprea1_037209,Oprea1_486844,ZINC00411451,BAS 01370824,S

TimTec1_007181,Oprea1_037209,Oprea1_486844,ZINC00411451,BAS 01370824,S

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:3
摘 要:TimTec1_007181,Oprea1_037209,Oprea1_486844,ZINC00411451,BAS 01370824,ST061197,N-Phenyl-2-(5-phenyl-tetrazol-2-yl)-acetamide, N-phenyl-2-(5-phenyltetrazol-2-yl)acetamide,Canonical SMILES: C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=CC=CC=C3,InChI: InChI=1/C15H1
[Synonyms]
TimTec1_007181
Oprea1_037209
Oprea1_486844
ZINC00411451
BAS 01370824
ST061197
N-Phenyl-2-(5-phenyl-tetrazol-2-yl)-acetamide

[Structure]
TimTec1_007181,Oprea1_037209,Oprea1_486844,ZINC00411451,BAS 01370824,S

[ Properties Computed from Structure]
Molecular Weight279.29662 [g/mol]
Molecular FormulaC15H13N5O
XLogP3
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count4
Tautomer Count2
Exact Mass279.11201
MonoIsotopic Mass279.11201
Topological Polar Surface Area72.7
Heavy Atom Count21
Formal Charge0
Complexity339
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: N-phenyl-2-(5-phenyltetrazol-2-yl)acetamide
Canonical SMILES: C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=CC=CC=C3
InChI: InChI=1/C15H13N5O/c21-14(16-13-9-5-2-6-10-13)11-20-18-15(17-19-20)12-7-
3-1-4-8-12/h1-10H,11H2,(H,16,21)/f/h16H

 
本文导航:
  • (1) TimTec1_007181,Oprea1_037209,Oprea1_486844,ZINC00411451,BAS 01370824,S
  • 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