当前位置: 首页 » 资料 » 化学物质数据库 » (2S)-3-(2,,5-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)

(2S)-3-(2,,5-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要: (2S)-3-(2,,5-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide,Canonical SMILES: CCOC1=CC=CC=C1NC(=O)C(CC2=C(C=CC(=C2)OC)OC)C3=NNN=N3,Isomeric SMILES: CCOC1=CC=CC=C1NC(=O)[C@@H](CC2=C(C=CC(=C2)OC)OC)C3=NNN=N3,InChI: InChI=1/C20H23N
[Synonyms]

[Structure]
 (2S)-3-(2,,5-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)

[ Properties Computed from Structure]
Molecular Weight397.42772 [g/mol]
Molecular FormulaC20H23N5O4
XLogP3.1
H-Bond Donor2
H-Bond Acceptor8
Rotatable Bond Count9
Tautomer Count4
Exact Mass397.175004
MonoIsotopic Mass397.175004
Topological Polar Surface Area111
Heavy Atom Count29
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2S)-3-(2,
5-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
Canonical SMILES: CCOC1=CC=CC=C1NC(=O)C(CC2=C(C=CC(=C2)OC)OC)C3=NNN=N3
Isomeric SMILES: CCOC1=CC=CC=C1NC(=O)[C@@H](CC2=C(C=CC(=C2)OC)OC)C3=NNN=N3
InChI: InChI=1/C20H23N5O4/c1-4-29-18-8-6-5-7-16(18)21-20(26)15(19-22-24-25-23-
19)12-13-11-14(27-2)9-10-17(13)28-3/h5-11,15H,4,12H2,1-3H3,(H,21,26)(H,
22,23,24,25)/t15-/m0/s1/f/h21,24H

 
本文导航:
  • (1) (2S)-3-(2,,5-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)
  • 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