当前位置: 首页 » 资料 » 化学物质数据库 » BAS 02833402,AG-690/40755177, N-(4-acetylphenyl)-2-[[5-(2-methoxypheny

BAS 02833402,AG-690/40755177, N-(4-acetylphenyl)-2-[[5-(2-methoxypheny

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要:BAS 02833402,AG-690/40755177, N-(4-acetylphenyl)-2-[[5-(2-methoxyphenyl)-4-(phenylmethyl)-1,2,,4-triazol-3-yl]sulfanyl]acetamide,Canonical SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4OC,InChI: InChI=1/C26H24N4O3S/c1-18(31)20-
[Synonyms]
BAS 02833402
AG-690/40755177

[Structure]
BAS 02833402,AG-690/40755177, N-(4-acetylphenyl)-2-[[5-(2-methoxypheny

[ Properties Computed from Structure]
Molecular Weight472.55876 [g/mol]
Molecular FormulaC26H24N4O3S
XLogP6
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count9
Tautomer Count9
Exact Mass472.156911
MonoIsotopic Mass472.156911
Topological Polar Surface Area86.1
Heavy Atom Count34
Formal Charge0
Complexity666
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-(4-acetylphenyl)-2-[[5-(2-methoxyphenyl)-4-(phenylmethyl)-1,2,
4-triazol-3-yl]sulfanyl]acetamide
Canonical SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4OC
InChI: InChI=1/C26H24N4O3S/c1-18(31)20-12-14-21(15-13-20)27-24(32)17-34-26-29-
28-25(22-10-6-7-11-23(22)33-2)30(26)16-19-8-4-3-5-9-19/h3-15H,16-17H2,
1-2H3,(H,27,32)/f/h27H

 
本文导航:
  • (1) BAS 02833402,AG-690/40755177, N-(4-acetylphenyl)-2-[[5-(2-methoxypheny
  • 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