当前位置: 首页 » 资料 » 化学物质数据库 » (2R)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-,(thio

(2R)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-,(thio

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:2
摘 要: (2R)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-,(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide,Canonical SMILES: C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(CC3=CC=CS3)C(=O)C4COC5=CC=CC=C5O4,Isomeric SMILES: C1CCC(CC1)NC(=O)[C@H]
[Synonyms]

[Structure]
 (2R)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-,(thio

[ Properties Computed from Structure]
Molecular Weight496.64152 [g/mol]
Molecular FormulaC26H28N2O4S2
XLogP3.5
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count7
Tautomer Count2
Exact Mass496.149049
MonoIsotopic Mass496.149049
Topological Polar Surface Area67.9
Heavy Atom Count34
Formal Charge0
Complexity704
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2R)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-
(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Canonical SMILES: C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(CC3=CC=CS3)C(=O)C4COC5=CC=CC=C5O4
Isomeric SMILES: C1CCC(CC1)NC(=O)[C@H](C2=CC=CS2)N(CC3=CC=CS3)C(=O)[C@H]4COC5=CC=CC=C5O4
InChI: InChI=1/C26H28N2O4S2/c29-25(27-18-8-2-1-3-9-18)24(23-13-7-15-34-23)28
(16-19-10-6-14-33-19)26(30)22-17-31-20-11-4-5-12-21(20)32-22/h4-7,10-15,
18,22,24H,1-3,8-9,16-17H2,(H,27,29)/t22-,24+/m1/s1/f/h27H

 
本文导航:
  • (1) (2R)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-,(thio
  • 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